3-[2-(4-methylpiperazin-1-yl)ethyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[2-(4-methylpiperazin-1-yl)ethyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-benzyloxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(4-methyl-1-piperazinyl)ethyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(4-methylpiperazin-1-yl)ethyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-benzoxyphenyl)-3-[2-(4-methylpiperazino)ethyl]-1H-1,2,4-triazole-5-thione Formula: C22H27N5OS MolecularWeight: 409.54768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2=NNC(=S)N2C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCC2=NNC(=S)N2C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-25-13-15-26(16-14-25)12-11-21-23-24-22(29)27(21)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,24,29)