N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-[(1-methyl-2-imidazolyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C21H20N6O5S2 MolecularWeight: 500.5507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)SC4=NC=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)SC4=NC=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O5S2/c1-14-19(20(28)26(25(14)3)15-7-5-4-6-8-15)23-34(31,32)16-9-10-18(17(13-16)27(29)30)33-21-22-11-12-24(21)2/h4-13,23H,1-3H3