5-bromanyl-2-(2-cyanophenyl)sulfanyl-benzoic acid

Systemtic Name: 5-bromanyl-2-(2-cyanophenyl)sulfanyl-benzoic acid Openeye Name: 5-bromo-2-(2-cyanophenyl)sulfanyl-benzoic acid CAS Name: 5-bromo-2-[(2-cyanophenyl)thio]benzoic acid IUPAC Name: 5-bromo-2-(2-cyanophenyl)sulfanylbenzoic acid Traditional Name: 5-bromo-2-[(2-cyanophenyl)thio]benzoic acid Formula: C14H8BrNO2S MolecularWeight: 334.18782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C14H8BrNO2S/c15-10-5-6-13(11(7-10)14(17)18)19-12-4-2-1-3-9(12)8-16/h1-7H,(H,17,18)