N-(3-chloranyl-4-cyano-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C18H10ClF3N4OS MolecularWeight: 422.81141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H10ClF3N4OS/c19-13-7-11(6-5-10(13)8-23)24-15(27)9-28-16-12-3-1-2-4-14(12)25-17(26-16)18(20,21)22/h1-7H,9H2,(H,24,27)