5,7-dimethyl-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 5,7-dimethyl-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 5,7-dimethyl-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 5,7-dimethyl-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 5,7-dimethyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-5,7-dimethyl-quinoline-3-carbonitrile Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC(=CC(=C3C=C2C#N)C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC3=CC(=CC(=C3C=C2C#N)C)C

InChI

InChI=1S/C20H23N3OS/c1-13-5-4-6-23(11-13)19(24)12-25-20-16(10-21)9-17-15(3)7-14(2)8-18(17)22-20/h7-9,13H,4-6,11-12H2,1-3H3