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

Systemtic Name: 2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 4-(o-tolyl)-2-[[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 4-(o-tolyl)-2-[[4-(4-sec-butylphenyl)sulfonylpiperazino]methyl]-1,2,4-triazole-3-thione Formula: C24H31N5O2S2 MolecularWeight: 485.66524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4C

InChI

InChI=1S/C24H31N5O2S2/c1-4-19(2)21-9-11-22(12-10-21)33(30,31)27-15-13-26(14-16-27)18-29-24(32)28(17-25-29)23-8-6-5-7-20(23)3/h5-12,17,19H,4,13-16,18H2,1-3H3