2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7,8-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7,8-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-7,8-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-7,8-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-7,8-dimethylquinoline-3-carbonitrile Traditional Name: 2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-7,8-dimethyl-quinoline-3-carbonitrile Formula: C20H15FN2OS MolecularWeight: 350.409303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)C3=CC=C(C=C3)F)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)C3=CC=C(C=C3)F)C#N)C

InChI

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