4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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![4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d060c7485b6e4e9eb991b5e4c200b843.png "4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid")
4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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CAS No:
955890-76-3
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Formula:
C16H11N5O3S
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Chemical Name:
4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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Synonyms:
MLS000551487;SMR000145412;4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid;CHEMBL1374016;BDBM52287;cid_1839198;HMS2174P16;STK550820;ZINC20170800;AKOS005478500;MCULE-5061898244;4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid;4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid;4-[3-[5-(2-furyl)-1H-pyrazol-3-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid;4-{3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzoic acid;955890-76-3
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CAS No:
4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Basic Attributes
353.4 g/mol
353.05826040 g/mol
Computed Properties
Molecular Weight:353.4
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:353.05826040
Monoisotopic Mass:353.05826040
Topological Polar Surface Area:139
Heavy Atom Count:25
Complexity:578
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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