N-(3-cyanothiophen-2-yl)-2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]acetamide Formula: C22H13F3N4O2S2 MolecularWeight: 486.48943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C#N)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C#N)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H13F3N4O2S2/c23-22(24,25)14-4-3-5-15(10-14)29-20(31)16-6-1-2-7-17(16)27-21(29)33-12-18(30)28-19-13(11-26)8-9-32-19/h1-10H,12H2,(H,28,30)