4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-(hydroxymethyl)-2-thioxo-1H-imidazol-3-yl]methyl]benzoic acid CAS Name: 4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzoic acid Traditional Name: 4-[(5-methylol-2-thioxo-4-imidazolin-1-yl)methyl]benzoic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=CNC2=S)CO)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C(=CNC2=S)CO)C(=O)O

InChI

InChI=1S/C12H12N2O3S/c15-7-10-5-13-12(18)14(10)6-8-1-3-9(4-2-8)11(16)17/h1-5,15H,6-7H2,(H,13,18)(H,16,17)