(4Z)-5-tert-butyl-4-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-5-tert-butyl-4-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-5-tert-butyl-4-[[5-nitro-2-(2-pyridylsulfanyl)phenyl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4Z)-5-tert-butyl-4-[[5-nitro-2-(2-pyridinylthio)phenyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-5-tert-butyl-4-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-tert-butyl-4-[5-nitro-2-(2-pyridylthio)benzylidene]-2-phenyl-2-pyrazolin-3-one Formula: C25H22N4O3S MolecularWeight: 458.53218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C\1=NN(C(=O)/C1=C\C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S/c1-25(2,3)23-20(24(30)28(27-23)18-9-5-4-6-10-18)16-17-15-19(29(31)32)12-13-21(17)33-22-11-7-8-14-26-22/h4-16H,1-3H3/b20-16-