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

Systemtic Name: 1-ethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-ethyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-ethyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-ethyl-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c1-3-22-9-8-18(21-22)19(24)20-14-10-15(23(25)26)12-17(11-14)27-16-6-4-13(2)5-7-16/h4-12H,3H2,1-2H3,(H,20,24)