5-ethanoyl-6-methyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(4-keto-1H-quinazolin-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=NC(=O)C3=CC=CC=C3N2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=NC(=O)C3=CC=CC=C3N2)C#N)C(=O)C

InChI

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