5-ethanoyl-6-methyl-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]-6-methyl-nicotinonitrile Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC(=O)N3C=CC=CC3=N2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC(=O)N3C=CC=CC3=N2)C#N)C(=O)C

InChI

InChI=1S/C18H14N4O2S/c1-11-15(12(2)23)7-13(9-19)18(20-11)25-10-14-8-17(24)22-6-4-3-5-16(22)21-14/h3-8H,10H2,1-2H3