5-cyclopropyl-4-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-4-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-methyl-2-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-methyl-2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-methyl-2-[(4-tosylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4CC4)C

InChI

InChI=1S/C18H25N5O2S2/c1-14-3-7-16(8-4-14)27(24,25)22-11-9-21(10-12-22)13-23-18(26)20(2)17(19-23)15-5-6-15/h3-4,7-8,15H,5-6,9-13H2,1-2H3