2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetonitrile Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC#N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC#N

InChI

InChI=1S/C12H11N3OS/c1-2-15-11(16)9-5-3-4-6-10(9)14-12(15)17-8-7-13/h3-6H,2,8H2,1H3