N-(4-methylphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(4-methylphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-benzylsulfanyl-N-(p-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-methylphenyl)-3-(phenylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-benzylsulfanyl-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(benzylthio)-1H-1,2,4-triazol-5-yl]-(p-tolyl)amine Formula: C16H16N4S MolecularWeight: 296.39004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H16N4S/c1-12-7-9-14(10-8-12)17-15-18-16(20-19-15)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,17,18,19,20)