5-(4-methoxyphenyl)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperazino)methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS/c1-27-19-9-7-18(8-10-19)20-22-21(28)26(23-20)16-25-13-11-24(12-14-25)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,23,28)