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

Systemtic Name: (4Z)-5-tert-butyl-4-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-5-tert-butyl-4-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4Z)-5-tert-butyl-4-[[2-[(4-chlorophenyl)thio]-5-nitrophenyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-5-tert-butyl-4-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-tert-butyl-4-[2-[(4-chlorophenyl)thio]-5-nitro-benzylidene]-2-phenyl-2-pyrazolin-3-one Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)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=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H22ClN3O3S/c1-26(2,3)24-22(25(31)29(28-24)19-7-5-4-6-8-19)16-17-15-20(30(32)33)11-14-23(17)34-21-12-9-18(27)10-13-21/h4-16H,1-3H3/b22-16-