N-(2-cyanophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanophenyl)-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanophenyl)-2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C#N)OC

InChI

InChI=1S/C25H20N4O4S/c1-32-21-12-11-17(13-22(21)33-2)29-24(31)18-8-4-6-10-20(18)28-25(29)34-15-23(30)27-19-9-5-3-7-16(19)14-26/h3-13H,15H2,1-2H3,(H,27,30)