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

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

Click to see the large picture

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-]

Isomeric SMILES

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

InChI

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