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

Systemtic Name: 4-[(4E)-4-(2,2-dicyanoethylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-4-(2,2-dicyanoethylidene)-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-(2,2-dicyanoethylidene)-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-4-(2,2-dicyanoethylidene)-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-4-(2,2-dicyanoethylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC(C#N)C#N)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C(C#N)C#N)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C14H10N4O4S/c1-9-13(6-10(7-15)8-16)14(19)18(17-9)11-2-4-12(5-3-11)23(20,21)22/h2-6,10H,1H3,(H,20,21,22)/b13-6+