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

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-cyano-2-thienyl)acetamide Formula: C21H12ClFN4O2S2 MolecularWeight: 470.926983

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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(=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H12ClFN4O2S2/c22-15-9-13(5-6-16(15)23)27-20(29)14-3-1-2-4-17(14)25-21(27)31-11-18(28)26-19-12(10-24)7-8-30-19/h1-9H,11H2,(H,26,28)