2-[(4E)-4-[(2-cyanophenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 2-[(4E)-4-[(2-cyanophenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 2-[(4E)-4-[(2-cyanophenyl)hydrazono]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 2-[(4E)-4-[(2-cyanophenyl)hydrazinylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 2-[(4E)-4-[(2-cyanophenyl)hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 2-[(4E)-4-[(2-cyanophenyl)hydrazono]-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC=C2C#N)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2C#N)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C17H13N5O4S/c1-11-16(20-19-13-7-3-2-6-12(13)10-18)17(23)22(21-11)14-8-4-5-9-15(14)27(24,25)26/h2-9,19H,1H3,(H,24,25,26)/b20-16+