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

Systemtic Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]methyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole-3-thione Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN(C)CC3=CC(=C(C=C3)OCC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN(C)CC3=CC(=C(C=C3)OCC)OC

InChI

InChI=1S/C22H28N4O2S/c1-5-16-7-10-18(11-8-16)21-23-22(29)26(24-21)15-25(3)14-17-9-12-19(28-6-2)20(13-17)27-4/h7-13H,5-6,14-15H2,1-4H3,(H,23,24,29)