2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: 2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: 2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide CAS Name: 2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: 2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2,2,2-trifluoroethyl)acetamide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(F)(F)F)C

InChI

InChI=1S/C20H18F3N3O2S/c1-12-7-8-16(13(2)9-12)26-18(28)14-5-3-4-6-15(14)25-19(26)29-10-17(27)24-11-20(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27)