2-[(2-sulfanylideneimidazolidin-1-yl)methyl]benzoic acid

Systemtic Name: 2-[(2-sulfanylideneimidazolidin-1-yl)methyl]benzoic acid Openeye Name: 2-[(2-thioxoimidazolidin-1-yl)methyl]benzoic acid CAS Name: 2-[(2-sulfanylidene-1-imidazolidinyl)methyl]benzoic acid IUPAC Name: 2-[(2-sulfanylideneimidazolidin-1-yl)methyl]benzoic acid Traditional Name: 2-[(2-thioxoimidazolidin-1-yl)methyl]benzoic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)N1)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CN(C(=S)N1)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C11H12N2O2S/c14-10(15)9-4-2-1-3-8(9)7-13-6-5-12-11(13)16/h1-4H,5-7H2,(H,12,16)(H,14,15)