2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,7-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-5,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-5,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-5,7-dimethyl-quinoline-3-carbonitrile Formula: C20H15FN2OS MolecularWeight: 350.409303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)C3=CC=C(C=C3)F)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)C3=CC=C(C=C3)F)C#N)C

InChI

InChI=1S/C20H15FN2OS/c1-12-7-13(2)17-9-15(10-22)20(23-18(17)8-12)25-11-19(24)14-3-5-16(21)6-4-14/h3-9H,11H2,1-2H3