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

Systemtic Name: 2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C17H13N3OS/c1-12-6-2-5-9-15(12)20-16(21)13-7-3-4-8-14(13)19-17(20)22-11-10-18/h2-9H,11H2,1H3