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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(3-chloro-4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(3-chloro-4-methyl-phenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H17ClN4S MolecularWeight: 416.92588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H17ClN4S/c1-16-11-12-20(13-21(16)24)28-22(17-7-3-2-4-8-17)26-27-23(28)29-15-19-10-6-5-9-18(19)14-25/h2-13H,15H2,1H3