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

Systemtic Name: 1-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-methyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-methyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-methyl-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S/c1-12-3-5-15(6-4-12)26-16-10-13(9-14(11-16)22(24)25)19-18(23)17-7-8-21(2)20-17/h3-11H,1-2H3,(H,19,23)