2-[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C19H14FN4O2S- MolecularWeight: 381.403463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15FN4O2S/c20-13-6-8-14(9-7-13)24(11-3-10-21)17(25)12-27-19-22-16-5-2-1-4-15(16)18(26)23-19/h1-2,4-9H,3,11-12H2,(H,22,23,26)/p-1