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

Systemtic Name: 2-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(2-bromoanilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(2-bromoanilino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(2-bromoanilino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(2-bromoanilino)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C16H11BrN3O2S- MolecularWeight: 389.24644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)NC3=CC=CC=C3Br)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)NC3=CC=CC=C3Br)[O-]

InChI

InChI=1S/C16H12BrN3O2S/c17-11-6-2-4-8-13(11)18-14(21)9-23-16-19-12-7-3-1-5-10(12)15(22)20-16/h1-8H,9H2,(H,18,21)(H,19,20,22)/p-1