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

Systemtic Name: 4-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H29N6O2S2+ MolecularWeight: 473.63466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C

InChI

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