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

Systemtic Name: 1-ethyl-5-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-4-carboxamide Openeye Name: 1-ethyl-5-methyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-4-carboxamide CAS Name: 1-ethyl-5-methyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-4-pyrazolecarboxamide IUPAC Name: 1-ethyl-5-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-4-carboxamide Traditional Name: 1-ethyl-5-methyl-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-4-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-4-23-14(3)19(12-21-23)20(25)22-15-9-16(24(26)27)11-18(10-15)28-17-7-5-13(2)6-8-17/h5-12H,4H2,1-3H3,(H,22,25)