2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-methoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]-6-methoxy-quinoline-3-carbonitrile Formula: C23H21FN4O2S MolecularWeight: 436.501843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

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