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

Systemtic Name: 2-[(4-nitrophenyl)carbonylcarbamothioylsulfanyl]ethanoic acid Openeye Name: 2-[(4-nitrobenzoyl)carbamothioylsulfanyl]acetic acid CAS Name: 2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[(4-nitrobenzoyl)carbamothioylsulfanyl]acetic acid Traditional Name: 2-[(4-nitrobenzoyl)thiocarbamoylthio]acetic acid Formula: C10H8N2O5S2 MolecularWeight: 300.31092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O5S2/c13-8(14)5-19-10(18)11-9(15)6-1-3-7(4-2-6)12(16)17/h1-4H,5H2,(H,13,14)(H,11,15,18)