4,5,6-trimethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS/c1-11-6-5-7-20(9-11)16(21)10-22-17-15(8-18)13(3)12(2)14(4)19-17/h11H,5-7,9-10H2,1-4H3/t11-/m1/s1