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

Systemtic Name: 4-[4-(2-methylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(o-tolyl)-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(2-methylphenyl)-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(2-methylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(o-tolyl)-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-3-yl]pyridine Formula: C21H19N5S MolecularWeight: 373.47406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5S/c1-16-4-2-3-5-19(16)26-20(18-8-13-23-14-9-18)24-25-21(26)27-15-10-17-6-11-22-12-7-17/h2-9,11-14H,10,15H2,1H3