3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
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3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
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CAS No:
728015-14-3
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Formula:
C14H10N4O2S
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Chemical Name:
3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
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Synonyms:
3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid;SCHEMBL13196160;STK328785;STK591239;ZINC18191200;AKOS000585599;AKOS005513678;MCULE-1808241954;SR-01000302294;SR-01000302294-1;3-[3-(pyridin-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid;728015-14-3
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CAS No:
3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Basic Attributes
298.32 g/mol
298.05244675 g/mol
Computed Properties
Molecular Weight:298.32
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:298.05244675
Monoisotopic Mass:298.05244675
Topological Polar Surface Area:110
Heavy Atom Count:21
Complexity:462
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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