2-[[4-(3-chlorophenyl)-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(3-chlorophenyl)-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(3-chlorophenyl)-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(3-chlorophenyl)-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(3-chlorophenyl)-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H16ClN5S MolecularWeight: 369.87114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC#N

InChI

InChI=1S/C18H16ClN5S/c1-13-5-7-15(8-6-13)21-12-17-22-23-18(25-10-9-20)24(17)16-4-2-3-14(19)11-16/h2-8,11,21H,10,12H2,1H3