2-[(1-ethylbenzimidazol-2-yl)carbamothioylsulfanyl]ethanoic acid

Systemtic Name: 2-[(1-ethylbenzimidazol-2-yl)carbamothioylsulfanyl]ethanoic acid Openeye Name: 2-[(1-ethylbenzimidazol-2-yl)carbamothioylsulfanyl]acetic acid CAS Name: 2-[[[(1-ethyl-2-benzimidazolyl)amino]-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[(1-ethylbenzimidazol-2-yl)carbamothioylsulfanyl]acetic acid Traditional Name: 2-[(1-ethylbenzimidazol-2-yl)thiocarbamoylthio]acetic acid Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1NC(=S)SCC(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1NC(=S)SCC(=O)O

InChI

InChI=1S/C12H13N3O2S2/c1-2-15-9-6-4-3-5-8(9)13-11(15)14-12(18)19-7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)(H,13,14,18)