2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N4O2S/c1-5-27-19-12-11-17(13-20(19)26-4)14-23(3)15-24-21(28)25(16(2)22-24)18-9-7-6-8-10-18/h6-13H,5,14-15H2,1-4H3