4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-2-chlorobenzoic acid
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![4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-2-chlorobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2188203f416841afac219747acd1bff5.png "4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-2-chlorobenzoic acid")
4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-2-chlorobenzoic acid
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CAS No:
577765-60-7
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Formula:
C17H12ClN3O5S
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Chemical Name:
4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-2-chlorobenzoic acid
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Synonyms:
MLS000778504;SMR000415298;4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-vinyl]-furan-2-yl}-2-chloro-benzoic acid;CHEMBL1560833;BDBM46591;cid_1625680;HMS2763K03;ZINC9350922;STK568937;STL505134;AKOS005494338;AKOS032384769;(2Z)-3-[5-(4-carboxy-3-chlorophenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;2-chloranyl-4-[5-[(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanyl-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid;4-(5-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}furan-2-yl)-2-chlorobenzoic acid;4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-2-chlorobenzoic acid;4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethenyl]-2-furanyl]-2-chlorobenzoic acid;4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]vinyl]-2-furyl]-2-chloro-benzoic acid;577765-60-7
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CAS No:
4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-2-chlorobenzoic acid Basic Attributes
405.8 g/mol
405.0186194 g/mol
Computed Properties
Molecular Weight:405.8
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:405.0186194
Monoisotopic Mass:405.0186194
Topological Polar Surface Area:155
Heavy Atom Count:27
Complexity:607
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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