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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(isoamylthio)-3-nitro-benzamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC(=C(C=C3)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC(=C(C=C3)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O3S/c1-15(2)12-13-31-21-11-10-18(14-20(21)27(29)30)23(28)24-22-16(3)25-26(17(22)4)19-8-6-5-7-9-19/h5-11,14-15H,12-13H2,1-4H3,(H,24,28)