2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid
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![2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/dd54e333e84c47b38f4630a8ae99f983.png "2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid")
2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid
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CAS No:
727684-84-6
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Formula:
C15H12N4O2S
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Chemical Name:
2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid
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Synonyms:
HMS1697M10;ZINC5813707;STK596300;STK781018;AKOS000585387;AKOS005517706;MCULE-8456039364;SR-01000299358;SR-01000299358-1;{4-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid;{4-[3-(pyridin-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}acetic acid;727684-84-6
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CAS No:
2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid Basic Attributes
312.3 g/mol
312.06809681 g/mol
Computed Properties
Molecular Weight:312.3
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:312.06809681
Monoisotopic Mass:312.06809681
Topological Polar Surface Area:110
Heavy Atom Count:22
Complexity:468
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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