N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C19H13F6N3O2S MolecularWeight: 461.380839

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H13F6N3O2S/c1-28-16(30)13-4-2-3-5-14(13)27-17(28)31-9-15(29)26-12-7-10(18(20,21)22)6-11(8-12)19(23,24)25/h2-8H,9H2,1H3,(H,26,29)