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4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile
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![4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/79aedf8f89d74996898858682c2ffda7.png "4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile")
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile
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CAS No:
451516-52-2
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Formula:
C13H11N7OS
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Chemical Name:
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile
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Synonyms:
ZINC13125418;Z18357285;4-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;451516-52-2
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CAS No:
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile Basic Attributes
313.34 g/mol
313.07457917 g/mol
Computed Properties
Molecular Weight:313.34
XLogP3:1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:313.07457917
Monoisotopic Mass:313.07457917
Topological Polar Surface Area:166
Heavy Atom Count:22
Complexity:490
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile
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