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4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-benzothiazol-2-yl)-3-hydroxybut-2-enenitrile
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-benzothiazol-2-yl)-3-hydroxybut-2-enenitrile
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![4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-benzothiazol-2-yl)-3-hydroxybut-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/90160093caad42b78d3b077c970824df.png "4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-benzothiazol-2-yl)-3-hydroxybut-2-enenitrile")
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-benzothiazol-2-yl)-3-hydroxybut-2-enenitrile
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CAS No:
451509-13-0
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Formula:
C13H10N6OS2
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Chemical Name:
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-benzothiazol-2-yl)-3-hydroxybut-2-enenitrile
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Synonyms:
Z18357286;4-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile;451509-13-0
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CAS No:
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-benzothiazol-2-yl)-3-hydroxybut-2-enenitrile Basic Attributes
330.4 g/mol
330.03575131 g/mol
Computed Properties
Molecular Weight:330.4
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:330.03575131
Monoisotopic Mass:330.03575131
Topological Polar Surface Area:178
Heavy Atom Count:22
Complexity:492
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-(1,3-benzothiazol-2-yl)-3-hydroxybut-2-enenitrile
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