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

Systemtic Name: 4-[(4E)-4-(dimethylaminomethylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-4-(dimethylaminomethylene)-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-(dimethylaminomethylidene)-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-4-(dimethylaminomethylidene)-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-4-(dimethylaminomethylene)-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CN(C)C)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c1-9-12(8-15(2)3)13(17)16(14-9)10-4-6-11(7-5-10)21(18,19)20/h4-8H,1-3H3,(H,18,19,20)/b12-8+