4-(3,4-dimethoxyphenyl)-2-[(4-methylpiperidin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[(4-methylpiperidin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-(3,4-dimethoxyphenyl)-2-[(4-methyl-1-piperidyl)methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-(3,4-dimethoxyphenyl)-2-[(4-methyl-1-piperidinyl)methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-[(4-methylpiperidin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(4-methylpiperidino)methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C23H28N4O2S MolecularWeight: 424.55902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H28N4O2S/c1-17-11-13-25(14-12-17)16-26-23(30)27(22(24-26)18-7-5-4-6-8-18)19-9-10-20(28-2)21(15-19)29-3/h4-10,15,17H,11-14,16H2,1-3H3