5-(4-bromophenyl)-2-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-bromophenyl)-2-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-bromophenyl)-2-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-bromophenyl)-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-bromophenyl)-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-bromophenyl)-2-[[methyl(veratryl)amino]methyl]-1H-1,2,4-triazole-3-thione Formula: C19H21BrN4O2S MolecularWeight: 449.36464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O2S/c1-23(11-13-4-9-16(25-2)17(10-13)26-3)12-24-19(27)21-18(22-24)14-5-7-15(20)8-6-14/h4-10H,11-12H2,1-3H3,(H,21,22,27)