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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-4-phenylsulfanyl-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-4-phenylsulfanyl-benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitro-4-(phenylthio)benzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitro-4-phenylsulfanylbenzenesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-4-(phenylthio)benzenesulfonamide Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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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=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S2/c1-16-22(23(28)26(25(16)2)17-9-5-3-6-10-17)24-34(31,32)19-13-14-21(20(15-19)27(29)30)33-18-11-7-4-8-12-18/h3-15,24H,1-2H3