6-ethyl-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 6-ethyl-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6-ethyl-2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6-ethyl-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 6-ethyl-2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]quinoline-3-carbonitrile Formula: C20H15FN2OS MolecularWeight: 350.409303

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)C3=CC=C(C=C3)F

InChI

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