2-[4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-3-yl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-3-yl]ethanamide Openeye Name: 2-[4-oxo-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-3-yl]acetamide CAS Name: 2-[4-oxo-2-[[[3-(trifluoromethyl)phenyl]thio]methyl]-3-quinazolinyl]acetamide IUPAC Name: 2-[4-oxo-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[[3-(trifluoromethyl)phenyl]thio]methyl]quinazolin-3-yl]acetamide Formula: C18H14F3N3O2S MolecularWeight: 393.38287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=CC=CC(=C3)C(F)(F)F)CC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=CC=CC(=C3)C(F)(F)F)CC(=O)N

InChI

InChI=1S/C18H14F3N3O2S/c19-18(20,21)11-4-3-5-12(8-11)27-10-16-23-14-7-2-1-6-13(14)17(26)24(16)9-15(22)25/h1-8H,9-10H2,(H2,22,25)