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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-nitro-benzamide Formula: C24H19ClN4O4S MolecularWeight: 494.95006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClN4O4S/c1-15-22(24(31)28(27(15)2)17-6-4-3-5-7-17)26-23(30)20-14-18(29(32)33)10-13-21(20)34-19-11-8-16(25)9-12-19/h3-14H,1-2H3,(H,26,30)