2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)benzoic acid CAS Name: 2-(4,5-dihydro-1H-imidazol-2-ylmethylthio)benzoic acid IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(2-imidazolin-2-ylmethylthio)benzoic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CN=C(N1)CSC2=CC=CC=C2C(=O)O

InChI

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