N-(4-methylcyclohexyl)-3-nitro-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-3-nitro-4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-3-nitro-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-3-nitro-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-3-nitro-4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]benzenesulfonamide Formula: C20H22N6O4S2 MolecularWeight: 474.55648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4S2/c1-13-2-4-15(5-3-13)25-32(29,30)16-6-7-18(17(12-16)26(27)28)31-20-22-19(23-24-20)14-8-10-21-11-9-14/h6-13,15,25H,2-5H2,1H3,(H,22,23,24)