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

Systemtic Name: 5-ethanoyl-6-methyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]-6-methyl-nicotinonitrile Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-11-5-4-6-20(9-11)16(22)10-23-17-14(8-18)7-15(13(3)21)12(2)19-17/h7,11H,4-6,9-10H2,1-3H3/t11-/m0/s1