5-(2-methoxyphenyl)-4-(4-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-methoxyphenyl)-4-(4-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-methoxyphenyl)-4-(p-tolyl)-2-[2-(4-pyridyl)ethyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methoxyphenyl)-4-(4-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methoxyphenyl)-4-(4-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-methoxyphenyl)-4-(p-tolyl)-2-[2-(4-pyridyl)ethyl]-1,2,4-triazole-3-thione Formula: C23H22N4OS MolecularWeight: 402.51198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CCC3=CC=NC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CCC3=CC=NC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H22N4OS/c1-17-7-9-19(10-8-17)27-22(20-5-3-4-6-21(20)28-2)25-26(23(27)29)16-13-18-11-14-24-15-12-18/h3-12,14-15H,13,16H2,1-2H3