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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetonitrile Formula: C14H15N3OS MolecularWeight: 273.3534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC#N

InChI

InChI=1S/C14H15N3OS/c1-2-3-9-17-13(18)11-6-4-5-7-12(11)16-14(17)19-10-8-15/h4-7H,2-3,9-10H2,1H3