4-[[4-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid
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![4-[[4-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7a9ec261dc8042f3b12b16b07b37d34a.png "4-[[4-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid")
4-[[4-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid
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CAS No:
578000-29-0
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Formula:
C20H17N3O5S
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Chemical Name:
4-[[4-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid
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Synonyms:
MLS000774176;SMR000364977;MLS000778777;CHEMBL1452684;BDBM52753;cid_1623173;HMS2707A09;ZINC6129832;STL054929;AKOS001039155;AKOS005707466;(2E)-3-{4-[(4-carboxybenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;(E)-4-((4-(2-carboxy-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)vinyl)phenoxy)methyl)benzoic acid;4-[[4-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid;4-[[4-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid;4-[[4-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethenyl]phenoxy]methyl]benzoic acid;4-[[4-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]vinyl]phenoxy]methyl]benzoic acid;578000-29-0
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CAS No:
4-[[4-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid Basic Attributes
411.4 g/mol
411.08889182 g/mol
Computed Properties
Molecular Weight:411.4
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:411.08889182
Monoisotopic Mass:411.08889182
Topological Polar Surface Area:151
Heavy Atom Count:29
Complexity:601
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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