6-fluoranyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-quinoline-3-carbonitrile

Systemtic Name: 6-fluoranyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-quinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-fluoro-4-oxo-1H-quinoline-3-carbonitrile CAS Name: 6-fluoro-4-oxo-2-(phenylmethylthio)-1H-quinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-fluoro-4-oxo-1H-quinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-6-fluoro-4-keto-1H-quinoline-3-carbonitrile Formula: C17H11FN2OS MolecularWeight: 310.345443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)F)C#N

InChI

InChI=1S/C17H11FN2OS/c18-12-6-7-15-13(8-12)16(21)14(9-19)17(20-15)22-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,20,21)