2-[(3E)-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylhydrazinylidene]-2-oxidanylidene-indol-1-yl]ethanoic acid

Systemtic Name: 2-[(3E)-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylhydrazinylidene]-2-oxidanylidene-indol-1-yl]ethanoic acid Openeye Name: 2-[(3E)-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylhydrazono]-2-oxo-indolin-1-yl]acetic acid CAS Name: 2-[(3E)-3-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]hydrazinylidene]-2-oxo-1-indolyl]acetic acid IUPAC Name: 2-[(3E)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]-2-oxoindol-1-yl]acetic acid Traditional Name: 2-[(3E)-2-keto-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylhydrazono]indolin-1-yl]acetic acid Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=C3C4=CC=CC=C4N(C3=O)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C/3\C4=CC=CC=C4N(C3=O)CC(=O)O

InChI

InChI=1S/C22H20N6O4S/c1-13-18(21(32)28(26(13)2)14-8-4-3-5-9-14)23-22(33)25-24-19-15-10-6-7-11-16(15)27(20(19)31)12-17(29)30/h3-11H,12H2,1-2H3,(H,29,30)(H2,23,25,33)/b24-19+