N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C

InChI

InChI=1S/C21H20F3N3OS/c1-13-8-9-15(14(2)10-13)11-27(3)18(28)12-29-19-16-6-4-5-7-17(16)25-20(26-19)21(22,23)24/h4-10H,11-12H2,1-3H3