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

Systemtic Name: 5-methyl-4-(2-methylphenyl)-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(isopropyl)amino]methyl]-5-methyl-4-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(2-methylphenyl)-2-[[(phenylmethyl)-propan-2-ylamino]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(propan-2-yl)amino]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(isopropyl)amino]methyl]-5-methyl-4-(o-tolyl)-1,2,4-triazole-3-thione Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)CN(CC3=CC=CC=C3)C(C)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)CN(CC3=CC=CC=C3)C(C)C)C

InChI

InChI=1S/C21H26N4S/c1-16(2)23(14-19-11-6-5-7-12-19)15-24-21(26)25(18(4)22-24)20-13-9-8-10-17(20)3/h5-13,16H,14-15H2,1-4H3