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

Systemtic Name: 4-cyclopropyl-2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(3-methoxyphenyl)piperazino]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)C5CC5

InChI

InChI=1S/C21H25N5OS2/c1-27-18-5-2-4-17(14-18)24-11-9-23(10-12-24)15-25-21(28)26(16-7-8-16)20(22-25)19-6-3-13-29-19/h2-6,13-14,16H,7-12,15H2,1H3