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

Systemtic Name: 2-[3-(2-methylprop-2-enyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(2-methylallyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(2-methylprop-2-enyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(2-methylallyl)quinazolin-2-yl]thio]acetonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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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/C14H13N3OS/c1-10(2)9-17-13(18)11-5-3-4-6-12(11)16-14(17)19-8-7-15/h3-6H,1,8-9H2,2H3