2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]-6-methyl-nicotinonitrile Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C)C

InChI

InChI=1S/C18H23N3O2S/c1-11-6-5-7-12(2)21(11)17(23)10-24-18-15(9-19)8-16(14(4)22)13(3)20-18/h8,11-12H,5-7,10H2,1-4H3/t11-,12-/m0/s1