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

Systemtic Name: 5-ethanoyl-6-methyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-6-methyl-nicotinonitrile Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)C2=CC=CN2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)C2=CC=CN2)C#N)C(=O)C

InChI

InChI=1S/C15H13N3O2S/c1-9-12(10(2)19)6-11(7-16)15(18-9)21-8-14(20)13-4-3-5-17-13/h3-6,17H,8H2,1-2H3