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

Systemtic Name: 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[4-(3-methoxyphenyl)piperazino]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C25H27N5OS2 MolecularWeight: 477.64478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5OS2/c1-31-22-10-5-9-21(17-22)28-14-12-27(13-15-28)19-30-25(32)29(18-20-7-3-2-4-8-20)24(26-30)23-11-6-16-33-23/h2-11,16-17H,12-15,18-19H2,1H3