2,5-dimethyl-4-nitro-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-4-nitro-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-4-nitro-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-4-nitro-N-[2-(phenylthio)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-4-nitro-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-4-nitro-N-[2-(phenylthio)phenyl]pyrazole-3-carboxamide Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C

InChI

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