3-(2,6-diethylphenyl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid

Systemtic Name: 3-(2,6-diethylphenyl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid Openeye Name: 3-(2,6-diethylphenyl)-2-thioxo-1H-imidazole-4-carboxylic acid CAS Name: 3-(2,6-diethylphenyl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid IUPAC Name: 3-(2,6-diethylphenyl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid Traditional Name: 3-(2,6-diethylphenyl)-2-thioxo-4-imidazoline-4-carboxylic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=CNC2=S)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=CNC2=S)C(=O)O

InChI

InChI=1S/C14H16N2O2S/c1-3-9-6-5-7-10(4-2)12(9)16-11(13(17)18)8-15-14(16)19/h5-8H,3-4H2,1-2H3,(H,15,19)(H,17,18)