5-ethanoyl-6-methyl-2-(2-oxidanylidenepropylsulfanyl)-4-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(2-oxidanylidenepropylsulfanyl)-4-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-5-acetyl-6-methyl-4-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(2-oxopropylthio)-4-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(2-oxopropylsulfanyl)-4-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-5-acetyl-6-methyl-4-(3-pyridyl)nicotinonitrile Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c1-10(21)9-23-17-14(7-18)16(13-5-4-6-19-8-13)15(12(3)22)11(2)20-17/h4-6,8H,9H2,1-3H3