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

Systemtic Name: 1-ethyl-3,5-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-4-carboxamide Openeye Name: 1-ethyl-3,5-dimethyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-4-carboxamide CAS Name: 1-ethyl-3,5-dimethyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-4-pyrazolecarboxamide IUPAC Name: 1-ethyl-3,5-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-4-carboxamide Traditional Name: 1-ethyl-3,5-dimethyl-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-4-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC(=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC(=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O3S/c1-5-24-15(4)20(14(3)23-24)21(26)22-16-10-17(25(27)28)12-19(11-16)29-18-8-6-13(2)7-9-18/h6-12H,5H2,1-4H3,(H,22,26)