N-[2-chloranyl-6-(trifluoromethyl)phenyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-chloranyl-6-(trifluoromethyl)phenyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C21H13ClF3N3OS2 MolecularWeight: 479.92563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4=C(C=CC=C4Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4=C(C=CC=C4Cl)C(F)(F)F

InChI

InChI=1S/C21H13ClF3N3OS2/c22-14-7-3-6-13(21(23,24)25)18(14)27-17(29)11-31-20-12-5-1-2-8-15(12)26-19(28-20)16-9-4-10-30-16/h1-10H,11H2,(H,27,29)