2-(4-bromophenyl)sulfanylquinoline-4-carboxylate

Systemtic Name: 2-(4-bromophenyl)sulfanylquinoline-4-carboxylate Openeye Name: 2-(4-bromophenyl)sulfanylquinoline-4-carboxylate CAS Name: 2-[(4-bromophenyl)thio]-4-quinolinecarboxylate IUPAC Name: 2-(4-bromophenyl)sulfanylquinoline-4-carboxylate Traditional Name: 2-[(4-bromophenyl)thio]cinchoninate Formula: C16H9BrNO2S- MolecularWeight: 359.21716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C16H10BrNO2S/c17-10-5-7-11(8-6-10)21-15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)/p-1