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

Systemtic Name: 4-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-p-cumenylsulfonylpiperazino)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H28N6O2S2 MolecularWeight: 472.62672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O2S2/c1-17(2)18-6-8-20(9-7-18)32(29,30)27-13-11-26(12-14-27)16-28-22(31)25(3)21(24-28)19-5-4-10-23-15-19/h4-10,15,17H,11-14,16H2,1-3H3