2-(phenylcarbamothioylsulfanyl)ethanoic acid

Systemtic Name: 2-(phenylcarbamothioylsulfanyl)ethanoic acid Openeye Name: 2-(phenylcarbamothioylsulfanyl)acetic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]thio]acetic acid IUPAC Name: 2-(phenylcarbamothioylsulfanyl)acetic acid Traditional Name: 2-(phenylthiocarbamoylthio)acetic acid Formula: C9H9NO2S2 MolecularWeight: 227.30326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)SCC(=O)O

InChI

InChI=1S/C9H9NO2S2/c11-8(12)6-14-9(13)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)