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

Systemtic Name: 5-(4-methoxyphenyl)-2-[[methyl-(phenylmethyl)amino]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(methyl)amino]methyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[[methyl-(phenylmethyl)amino]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(methyl)amino]methyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(methyl)amino]methyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)CN(C)CC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)CN(C)CC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N4OS/c1-16(2)25-20(18-10-12-19(26-4)13-11-18)22-24(21(25)27)15-23(3)14-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3