5-(3-fluoranyl-4-methylsulfanyl-phenyl)-2,2-dimethyl-4-(4-nitrophenyl)furan-3-one

Systemtic Name: 5-(3-fluoranyl-4-methylsulfanyl-phenyl)-2,2-dimethyl-4-(4-nitrophenyl)furan-3-one Openeye Name: 5-(3-fluoro-4-methylsulfanyl-phenyl)-2,2-dimethyl-4-(4-nitrophenyl)furan-3-one CAS Name: 5-[3-fluoro-4-(methylthio)phenyl]-2,2-dimethyl-4-(4-nitrophenyl)-3-furanone IUPAC Name: 5-(3-fluoro-4-methylsulfanylphenyl)-2,2-dimethyl-4-(4-nitrophenyl)furan-3-one Traditional Name: 5-[3-fluoro-4-(methylthio)phenyl]-2,2-dimethyl-4-(4-nitrophenyl)furan-3-one Formula: C19H16FNO4S MolecularWeight: 373.398043

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(O1)C2=CC(=C(C=C2)SC)F)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=O)C(=C(O1)C2=CC(=C(C=C2)SC)F)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H16FNO4S/c1-19(2)18(22)16(11-4-7-13(8-5-11)21(23)24)17(25-19)12-6-9-15(26-3)14(20)10-12/h4-10H,1-3H3