2-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C18H10F6N3O2S- MolecularWeight: 446.346319

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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(F)(F)F)[O-]

Isomeric SMILES

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

InChI

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