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

Systemtic Name: 5-cyclohexyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-cyclohexyl-2-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclohexyl-2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclohexyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-cyclohexyl-2-[(4-tosylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C23H33N5O2S2 MolecularWeight: 475.67042

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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)C4CCCCC4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4CCCCC4)CC=C

InChI

InChI=1S/C23H33N5O2S2/c1-3-13-27-22(20-7-5-4-6-8-20)24-28(23(27)31)18-25-14-16-26(17-15-25)32(29,30)21-11-9-19(2)10-12-21/h3,9-12,20H,1,4-8,13-18H2,2H3