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

Systemtic Name: 5-ethanoyl-6-methyl-2-[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl]thio]-6-methyl-nicotinonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C2=CC=CC=C2)C(=O)N3CCCC3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)S[C@@H](C2=CC=CC=C2)C(=O)N3CCCC3)C#N)C(=O)C

InChI

InChI=1S/C21H21N3O2S/c1-14-18(15(2)25)12-17(13-22)20(23-14)27-19(16-8-4-3-5-9-16)21(26)24-10-6-7-11-24/h3-5,8-9,12,19H,6-7,10-11H2,1-2H3/t19-/m0/s1