N-[(2-cyanophenyl)carbamoyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2-cyanophenyl)carbamoyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(2-cyanophenyl)carbamoyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(2-cyanoanilino)-oxomethyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(2-cyanophenyl)carbamoyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(2-cyanophenyl)carbamoyl]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C19H12F3N5O2S MolecularWeight: 431.39109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H12F3N5O2S/c20-19(21,22)17-24-14-8-4-2-6-12(14)16(27-17)30-10-15(28)26-18(29)25-13-7-3-1-5-11(13)9-23/h1-8H,10H2,(H2,25,26,28,29)