 Home > Encyclopedia > 2-(1H-benzimidazol-2-yl)-4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile

2-(1H-benzimidazol-2-yl)-4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile

2-(1H-benzimidazol-2-yl)-4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile structure

CAS No:
556045-54-6
Formula:
C20H15ClN6OS
Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
Synonyms:
ZINC2658941;Z15836239;4-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;556045-54-6

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2-(1H-benzimidazol-2-yl)-4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile Basic Attributes

Molecular Weight：

422.9 g/mol

Exact Mass：

422.0716580 g/mol

Characteristics

PSA：

129 Å²

Computed Properties

Molecular Weight:422.9
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:422.0716580
Monoisotopic Mass:422.0716580
Topological Polar Surface Area:129
Heavy Atom Count:29
Complexity:661
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1H-benzimidazol-2-yl)-4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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