2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylquinoline-3-carbonitrile

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylquinoline-3-carbonitrile Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylquinoline-3-carbonitrile CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]quinoline-3-carbonitrile Formula: C22H19FN4OS MolecularWeight: 406.475863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC4=CC=CC=C4C=C3C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC4=CC=CC=C4C=C3C#N

InChI

InChI=1S/C22H19FN4OS/c23-18-5-7-19(8-6-18)26-9-11-27(12-10-26)21(28)15-29-22-17(14-24)13-16-3-1-2-4-20(16)25-22/h1-8,13H,9-12,15H2