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

Systemtic Name: N-cyclopropyl-2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclopropyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclopropyl-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclopropyl-2-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]acetamide Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O2S/c21-20(22,23)12-4-3-5-14(10-12)26-18(28)15-6-1-2-7-16(15)25-19(26)29-11-17(27)24-13-8-9-13/h1-7,10,13H,8-9,11H2,(H,24,27)