2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H13ClN4S MolecularWeight: 340.82992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)Cl

InChI

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