3,5-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[3-nitro-5-(p-tolylthio)phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H22N4O3S/c1-16-9-11-22(12-10-16)33-23-14-19(13-21(15-23)29(31)32)26-25(30)24-17(2)27-28(18(24)3)20-7-5-4-6-8-20/h4-15H,1-3H3,(H,26,30)