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

Systemtic Name: 2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetonitrile Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC#N

InChI

InChI=1S/C13H13N3OS/c1-9(2)16-12(17)10-5-3-4-6-11(10)15-13(16)18-8-7-14/h3-6,9H,8H2,1-2H3