N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetamide Formula: C19H15ClF3N3O2S MolecularWeight: 441.85451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

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