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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-4-(p-tolylthio)benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-16-9-12-20(13-10-16)34-22-14-11-18(15-21(22)29(32)33)24(30)26-23-17(2)27(3)28(25(23)31)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,26,30)