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

Systemtic Name: 2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]acetonitrile Formula: C22H15N3O2S MolecularWeight: 385.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC#N

InChI

InChI=1S/C22H15N3O2S/c23-14-15-28-22-24-20-9-5-4-8-19(20)21(26)25(22)16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-13H,15H2