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

Systemtic Name: 5-(4-methoxyphenyl)-2-[[methyl-(phenylmethyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[benzyl(methyl)amino]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[[methyl-(phenylmethyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(methyl)amino]methyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[benzyl(methyl)amino]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-4-14-24-20(18-10-12-19(26-3)13-11-18)22-25(21(24)27)16-23(2)15-17-8-6-5-7-9-17/h4-13H,1,14-16H2,2-3H3