 Home > Encyclopedia > 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile structure

CAS No:
748020-06-6
Formula:
C20H17N5S3
Chemical Name:
4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile
Synonyms:
SMR000066611;MLS000055819;MLS000863956;CHEMBL1364682;HMS2170E04;HMS3308A15;ZINC2642821;AKOS000883803;MCULE-1812802693;Z20181516;4-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)butanenitrile;748020-06-6

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4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Basic Attributes

Molecular Weight：

423.6 g/mol

Exact Mass：

423.06460908 g/mol

Characteristics

PSA：

146 Å²

Computed Properties

Molecular Weight:423.6
XLogP3:4.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:423.06460908
Monoisotopic Mass:423.06460908
Topological Polar Surface Area:146
Heavy Atom Count:28
Complexity:535
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Basic Attributes
Characteristics
Computed Properties

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