4,6-dimethyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C17H14N4OS/c1-10-7-11(2)19-17(13(10)8-18)23-9-15-20-14-6-4-3-5-12(14)16(22)21-15/h3-7H,9H2,1-2H3,(H,20,21,22)