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

Systemtic Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C23H22N6O3S MolecularWeight: 462.52418

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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=NN(C=C3)CN4C(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C(=CC(=N4)C)C

InChI

InChI=1S/C23H22N6O3S/c1-15-4-6-20(7-5-15)33-21-12-18(11-19(13-21)29(31)32)24-23(30)22-8-9-27(26-22)14-28-17(3)10-16(2)25-28/h4-13H,14H2,1-3H3,(H,24,30)