2-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylsulfanyl]ethanoic acid Openeye Name: 2-[(4-bromo-3-chloro-phenyl)carbamothioylsulfanyl]acetic acid CAS Name: 2-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[(4-bromo-3-chlorophenyl)carbamothioylsulfanyl]acetic acid Traditional Name: 2-[(4-bromo-3-chloro-phenyl)thiocarbamoylthio]acetic acid Formula: C9H7BrClNO2S2 MolecularWeight: 340.64438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)SCC(=O)O)Cl)Br

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)SCC(=O)O)Cl)Br

InChI

InChI=1S/C9H7BrClNO2S2/c10-6-2-1-5(3-7(6)11)12-9(15)16-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)