4-(3-methoxyphenyl)-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-methoxyphenyl)-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(isopropyl)amino]methyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-methoxyphenyl)-2-[[(phenylmethyl)-propan-2-ylamino]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(propan-2-yl)amino]methyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(isopropyl)amino]methyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C20H24N4OS MolecularWeight: 368.49576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CN2C(=S)N(C=N2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CN2C(=S)N(C=N2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H24N4OS/c1-16(2)22(13-17-8-5-4-6-9-17)15-24-20(26)23(14-21-24)18-10-7-11-19(12-18)25-3/h4-12,14,16H,13,15H2,1-3H3