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

Systemtic Name: 5-ethanoyl-6-methyl-2-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[(1S)-2-keto-1-phenyl-2-piperidino-ethyl]thio]-6-methyl-nicotinonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)S[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3)C#N)C(=O)C

InChI

InChI=1S/C22H23N3O2S/c1-15-19(16(2)26)13-18(14-23)21(24-15)28-20(17-9-5-3-6-10-17)22(27)25-11-7-4-8-12-25/h3,5-6,9-10,13,20H,4,7-8,11-12H2,1-2H3/t20-/m0/s1