N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C19H15ClF3N3O2S MolecularWeight: 441.85451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H15ClF3N3O2S/c1-10-7-14(15(28-2)8-12(10)20)24-16(27)9-29-17-11-5-3-4-6-13(11)25-18(26-17)19(21,22)23/h3-8H,9H2,1-2H3,(H,24,27)