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

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

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)C

Isomeric SMILES

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

InChI

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