2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-7-methoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-7-methoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-7-methoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-7-methoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]thio]-7-methoxy-quinoline-3-carbonitrile Formula: C23H21FN4O2S MolecularWeight: 436.501843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F)C#N

InChI

InChI=1S/C23H21FN4O2S/c1-30-18-7-6-16-12-17(14-25)23(26-20(16)13-18)31-15-22(29)28-10-8-27(9-11-28)21-5-3-2-4-19(21)24/h2-7,12-13H,8-11,15H2,1H3