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

Systemtic Name: 6-ethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6-ethyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6-ethyl-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6-ethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 6-ethyl-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]quinoline-3-carbonitrile Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCC(CC3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCC(CC3)C

InChI

InChI=1S/C20H23N3OS/c1-3-15-4-5-18-16(10-15)11-17(12-21)20(22-18)25-13-19(24)23-8-6-14(2)7-9-23/h4-5,10-11,14H,3,6-9,13H2,1-2H3