4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C24H20N4S MolecularWeight: 396.5074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H20N4S/c1-17-3-11-21(12-4-17)23-26-27-24(28(23)22-13-5-18(2)6-14-22)29-16-20-9-7-19(15-25)8-10-20/h3-14H,16H2,1-2H3