AC1M7BCO

4-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

Also Known As: UPCMLD0ENAT0517-8013:001|4-(((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile|4-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile|4-[[4-(4-methylphenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile|4-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

Molecular Formula	C27H26N4S
Molecular Weight	438.1878 g/mol
LogP	6.7042
Topological Polar Surface Area	54.5 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	438.1878
Monoisotopic Mass	438.1878
Heavy Atoms	32
Complexity	1239.752

Chemical Identifiers

CAS Number	736147-97-0
SMILES	CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C(C)(C)C