2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanamide

Systemtic Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanamide Openeye Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-quinazolin-2-yl]sulfanylacetamide CAS Name: 2-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C18H11F6N3O2S MolecularWeight: 447.354259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H11F6N3O2S/c19-17(20,21)9-5-6-11(18(22,23)24)13(7-9)27-15(29)10-3-1-2-4-12(10)26-16(27)30-8-14(25)28/h1-7H,8H2,(H2,25,28)