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

Systemtic Name: 2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetonitrile Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C17H13N3O2S/c1-22-13-8-6-12(7-9-13)20-16(21)14-4-2-3-5-15(14)19-17(20)23-11-10-18/h2-9H,11H2,1H3