2-[(4-nitrophenyl)carbamothioylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-nitrophenyl)carbamothioylsulfanyl]ethanoic acid Openeye Name: 2-[(4-nitrophenyl)carbamothioylsulfanyl]acetic acid CAS Name: 2-[[(4-nitroanilino)-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[(4-nitrophenyl)carbamothioylsulfanyl]acetic acid Traditional Name: 2-[(4-nitrophenyl)thiocarbamoylthio]acetic acid Formula: C9H8N2O4S2 MolecularWeight: 272.30082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O4S2/c12-8(13)5-17-9(16)10-6-1-3-7(4-2-6)11(14)15/h1-4H,5H2,(H,10,16)(H,12,13)