N-(2-cyanoethyl)-2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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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(=O)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O3S/c26-15-6-16-27-23(30)17-33-25-28-22-10-5-4-9-21(22)24(31)29(25)18-11-13-20(14-12-18)32-19-7-2-1-3-8-19/h1-5,7-14H,6,16-17H2,(H,27,30)