5-methyl-N-(3-nitro-5-phenylsulfanyl-phenyl)-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-(3-nitro-5-phenylsulfanyl-phenyl)-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: 5-methyl-N-(3-nitro-5-phenylsulfanyl-phenyl)-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: 5-methyl-N-[3-nitro-5-(phenylthio)phenyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-(3-nitro-5-phenylsulfanylphenyl)-1,3-diphenylpyrazole-4-carboxamide Traditional Name: 5-methyl-N-[3-nitro-5-(phenylthio)phenyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C29H22N4O3S MolecularWeight: 506.57498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)SC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)SC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H22N4O3S/c1-20-27(28(21-11-5-2-6-12-21)31-32(20)23-13-7-3-8-14-23)29(34)30-22-17-24(33(35)36)19-26(18-22)37-25-15-9-4-10-16-25/h2-19H,1H3,(H,30,34)