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

Systemtic Name: 5-tert-butyl-2-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[methyl(veratryl)amino]methyl]-1H-1,2,4-triazole-3-thione Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN(C)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN(C)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H26N4O2S/c1-17(2,3)15-18-16(24)21(19-15)11-20(4)10-12-7-8-13(22-5)14(9-12)23-6/h7-9H,10-11H2,1-6H3,(H,18,19,24)