3-ethyl-2-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]carbamoyl]quinazolin-4-olate

Systemtic Name: 3-ethyl-2-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]carbamoyl]quinazolin-4-olate Openeye Name: 3-ethyl-2-thioxo-7-[[3-(trifluoromethyl)phenyl]carbamoyl]quinazolin-4-olate CAS Name: 3-ethyl-7-[oxo-[3-(trifluoromethyl)anilino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-2-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]carbamoyl]quinazolin-4-olate Traditional Name: 3-ethyl-2-thioxo-7-[[3-(trifluoromethyl)phenyl]carbamoyl]quinazolin-4-olate Formula: C18H13F3N3O2S- MolecularWeight: 392.37493

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC=CC(=C3)C(F)(F)F)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC=CC(=C3)C(F)(F)F)[O-]

InChI

InChI=1S/C18H14F3N3O2S/c1-2-24-16(26)13-7-6-10(8-14(13)23-17(24)27)15(25)22-12-5-3-4-11(9-12)18(19,20)21/h3-9,26H,2H2,1H3,(H,22,25)/p-1