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

Systemtic Name: 4-[4-(2-methylphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(o-tolyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(2-methylphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(2-methylphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(o-tolyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C22H20N4S MolecularWeight: 372.486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H20N4S/c1-17-7-5-6-10-20(17)26-21(19-11-14-23-15-12-19)24-25-22(26)27-16-13-18-8-3-2-4-9-18/h2-12,14-15H,13,16H2,1H3