2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylquinazoline-4-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylquinazoline-4-carboxylic acid Openeye Name: 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylquinazoline-4-carboxylic acid CAS Name: 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-4-quinazolinecarboxylic acid IUPAC Name: 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylquinazoline-4-carboxylic acid Traditional Name: 2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]quinazoline-4-carboxylic acid Formula: C18H12F3N3O3S MolecularWeight: 407.36639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H12F3N3O3S/c19-18(20,21)10-4-3-5-11(8-10)22-14(25)9-28-17-23-13-7-2-1-6-12(13)15(24-17)16(26)27/h1-8H,9H2,(H,22,25)(H,26,27)