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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H13ClN4S MolecularWeight: 340.82992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN4S/c1-12-2-8-15(9-3-12)22-16(13-4-6-14(18)7-5-13)20-21-17(22)23-11-10-19/h2-9H,11H2,1H3