2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC#N

InChI

InChI=1S/C14H15N3OS/c1-10(2)9-17-13(18)11-5-3-4-6-12(11)16-14(17)19-8-7-15/h3-6,10H,8-9H2,1-2H3