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

Systemtic Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-quinoline-3-carbonitrile Openeye Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-methyl-quinoline-3-carbonitrile CAS Name: 2-[[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-6-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile Traditional Name: 2-[[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]thio]-6-methyl-quinoline-3-carbonitrile Formula: C23H21FN4OS MolecularWeight: 420.502443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

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