2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-8-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-8-methyl-quinoline-3-carbonitrile Openeye Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-8-methyl-quinoline-3-carbonitrile CAS Name: 2-[[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-8-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-8-methylquinoline-3-carbonitrile Traditional Name: 2-[[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]thio]-8-methyl-quinoline-3-carbonitrile Formula: C23H21FN4OS MolecularWeight: 420.502443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H21FN4OS/c1-16-5-4-6-17-13-18(14-25)23(26-22(16)17)30-15-21(29)28-11-9-27(10-12-28)20-8-3-2-7-19(20)24/h2-8,13H,9-12,15H2,1H3