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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-15(2)12-13-32-20-11-10-17(14-19(20)27(30)31)22(28)24-21-16(3)25(4)26(23(21)29)18-8-6-5-7-9-18/h5-11,14-15H,12-13H2,1-4H3,(H,24,28)