4-(2-sulfanylideneimidazolidin-1-yl)benzoate

Systemtic Name: 4-(2-sulfanylideneimidazolidin-1-yl)benzoate Openeye Name: 4-(2-thioxoimidazolidin-1-yl)benzoate CAS Name: 4-(2-sulfanylidene-1-imidazolidinyl)benzoate IUPAC Name: 4-(2-sulfanylideneimidazolidin-1-yl)benzoate Traditional Name: 4-(2-thioxoimidazolidin-1-yl)benzoate Formula: C10H9N2O2S- MolecularWeight: 221.25566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)N1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CN(C(=S)N1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C10H10N2O2S/c13-9(14)7-1-3-8(4-2-7)12-6-5-11-10(12)15/h1-4H,5-6H2,(H,11,15)(H,13,14)/p-1