3-[[3-(hydroxymethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid

Systemtic Name: 3-[[3-(hydroxymethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid Openeye Name: 3-[[3-(hydroxymethyl)phenyl]methyl]-2-thioxo-1H-imidazole-4-carboxylic acid CAS Name: 3-[[3-(hydroxymethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid IUPAC Name: 3-[[3-(hydroxymethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid Traditional Name: 3-(3-methylolbenzyl)-2-thioxo-4-imidazoline-4-carboxylic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CO)CN2C(=CNC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CO)CN2C(=CNC2=S)C(=O)O

InChI

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