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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetonitrile Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC#N

InChI

InChI=1S/C16H19N3OS/c1-2-3-4-7-11-19-15(20)13-8-5-6-9-14(13)18-16(19)21-12-10-17/h5-6,8-9H,2-4,7,11-12H2,1H3