N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C20H17ClF3N3O2S MolecularWeight: 455.88109

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H17ClF3N3O2S/c1-3-27-18(29)13-6-4-5-7-15(13)26-19(27)30-11(2)17(28)25-16-9-8-12(21)10-14(16)20(22,23)24/h4-11H,3H2,1-2H3,(H,25,28)