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

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H15ClN4S MolecularWeight: 402.8993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H15ClN4S/c23-19-10-12-20(13-11-19)27-21(18-4-2-1-3-5-18)25-26-22(27)28-15-17-8-6-16(14-24)7-9-17/h1-13H,15H2