7,8-dimethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 7,8-dimethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 7,8-dimethyl-2-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 7,8-dimethyl-2-[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 7,8-dimethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]-7,8-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=C(C=CC(=C3C)C)C=C2C#N

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3C)C)C=C2C#N

InChI

InChI=1S/C20H23N3OS/c1-13-5-4-8-23(11-13)18(24)12-25-20-17(10-21)9-16-7-6-14(2)15(3)19(16)22-20/h6-7,9,13H,4-5,8,11-12H2,1-3H3/t13-/m1/s1