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

Systemtic Name: 4-cyclopropyl-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C23H28N6O2S2 MolecularWeight: 484.63742

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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)C4=CN=CC=C4)C5CC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5CC5)C

InChI

InChI=1S/C23H28N6O2S2/c1-17-5-8-21(18(2)14-17)33(30,31)27-12-10-26(11-13-27)16-28-23(32)29(20-6-7-20)22(25-28)19-4-3-9-24-15-19/h3-5,8-9,14-15,20H,6-7,10-13,16H2,1-2H3