3-[[(4R)-1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoate

Systemtic Name: 3-[[(4R)-1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoate Openeye Name: 3-[[(4R)-1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoate CAS Name: 3-[[(4R)-1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoate IUPAC Name: 3-[[(4R)-1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoate Traditional Name: 3-[[(4R)-5-keto-3-methyl-1-thiocarbamoyl-2-pyrazolin-4-yl]azo]benzoate Formula: C12H10N5O3S- MolecularWeight: 304.3045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C(=O)[O-])C(=S)N

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1N=NC2=CC=CC(=C2)C(=O)[O-])C(=S)N

InChI

InChI=1S/C12H11N5O3S/c1-6-9(10(18)17(16-6)12(13)21)15-14-8-4-2-3-7(5-8)11(19)20/h2-5,9H,1H3,(H2,13,21)(H,19,20)/p-1/t9-/m1/s1