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

Systemtic Name: 4,6-dimethyl-2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[1-(4-keto-1H-quinazolin-2-yl)ethylthio]-4,6-dimethyl-nicotinonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC(C)C2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C18H16N4OS/c1-10-8-11(2)20-18(14(10)9-19)24-12(3)16-21-15-7-5-4-6-13(15)17(23)22-16/h4-8,12H,1-3H3,(H,21,22,23)