2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Systemtic Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Openeye Name: 2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 2-[[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]pyridine IUPAC Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Traditional Name: 2-[[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C21H18N4S MolecularWeight: 358.45942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=N4

InChI

InChI=1S/C21H18N4S/c1-16-8-7-9-17(14-16)20-23-24-21(25(20)19-11-3-2-4-12-19)26-15-18-10-5-6-13-22-18/h2-14H,15H2,1H3