2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C16H10BrFN3O2S- MolecularWeight: 407.236903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrFN3O2S/c17-9-5-6-13(11(18)7-9)19-14(22)8-24-16-20-12-4-2-1-3-10(12)15(23)21-16/h1-7H,8H2,(H,19,22)(H,20,21,23)/p-1