3-[[(4S)-1,3-dimethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]diazenyl]benzoic acid

Systemtic Name: 3-[[(4S)-1,3-dimethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]diazenyl]benzoic acid Openeye Name: 3-[(4S)-1,3-dimethyl-5-oxo-2-thioxo-imidazolidin-4-yl]azobenzoic acid CAS Name: 3-[[(4S)-1,3-dimethyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]azo]benzoic acid IUPAC Name: 3-[[(4S)-1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]diazenyl]benzoic acid Traditional Name: 3-[(4S)-5-keto-1,3-dimethyl-2-thioxo-imidazolidin-4-yl]azobenzoic acid Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(C1=S)C)N=NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN1[C@H](C(=O)N(C1=S)C)N=NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H12N4O3S/c1-15-9(10(17)16(2)12(15)20)14-13-8-5-3-4-7(6-8)11(18)19/h3-6,9H,1-2H3,(H,18,19)/t9-/m1/s1