3-(4-cyclohexa-2,4-dien-1-yl-3-fluoranyl-phenyl)-1-ethyl-5-[3-(3-nitrophenyl)sulfinyl-5-oxidanyl-phenyl]pyridine-4-thione

Systemtic Name: 3-(4-cyclohexa-2,4-dien-1-yl-3-fluoranyl-phenyl)-1-ethyl-5-[3-(3-nitrophenyl)sulfinyl-5-oxidanyl-phenyl]pyridine-4-thione Openeye Name: 3-(4-cyclohexa-2,4-dien-1-yl-3-fluoro-phenyl)-1-ethyl-5-[3-hydroxy-5-(3-nitrophenyl)sulfinyl-phenyl]pyridine-4-thione CAS Name: 3-[4-(1-cyclohexa-2,4-dienyl)-3-fluorophenyl]-1-ethyl-5-[3-hydroxy-5-(3-nitrophenyl)sulfinylphenyl]-4-pyridinethione IUPAC Name: 3-(4-cyclohexa-2,4-dien-1-yl-3-fluorophenyl)-1-ethyl-5-[3-hydroxy-5-(3-nitrophenyl)sulfinylphenyl]pyridine-4-thione Traditional Name: 3-(4-cyclohexa-2,4-dien-1-yl-3-fluoro-phenyl)-1-ethyl-5-[3-hydroxy-5-(3-nitrophenyl)sulfinyl-phenyl]pyridine-4-thione Formula: C31H25FN2O4S2 MolecularWeight: 572.669603

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=S)C(=C1)C2=CC(=CC(=C2)S(=O)C3=CC=CC(=C3)[N+](=O)[O-])O)C4=CC(=C(C=C4)C5CC=CC=C5)F

Isomeric SMILES

CCN1C=C(C(=S)C(=C1)C2=CC(=CC(=C2)S(=O)C3=CC=CC(=C3)[N+](=O)[O-])O)C4=CC(=C(C=C4)C5CC=CC=C5)F

InChI

InChI=1S/C31H25FN2O4S2/c1-2-33-18-28(21-11-12-27(30(32)15-21)20-7-4-3-5-8-20)31(39)29(19-33)22-13-24(35)17-26(14-22)40(38)25-10-6-9-23(16-25)34(36)37/h3-7,9-20,35H,2,8H2,1H3