 Home > Encyclopedia > 4-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

4-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

4-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile structure

CAS No:
848987-54-2
Formula:
C21H15ClN4OS
Chemical Name:
4-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Synonyms:
ZINC2446199;STL346656;AKOS022133847;MCULE-6604952424;4-({[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile;848987-54-2

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4-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Basic Attributes

Molecular Weight：

406.9 g/mol

Exact Mass：

406.0655100 g/mol

Characteristics

PSA：

92.9 Å²

Computed Properties

Molecular Weight:406.9
XLogP3:4.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:406.0655100
Monoisotopic Mass:406.0655100
Topological Polar Surface Area:92.9
Heavy Atom Count:28
Complexity:550
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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