4-[(4E)-3-methyl-5-oxidanylidene-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzenesulfonate

Systemtic Name: 4-[(4E)-3-methyl-5-oxidanylidene-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzenesulfonate Openeye Name: 4-[(4E)-3-methyl-5-oxo-4-(2-thienylmethylene)pyrazol-1-yl]benzenesulfonate CAS Name: 4-[(4E)-3-methyl-5-oxo-4-(thiophen-2-ylmethylidene)-1-pyrazolyl]benzenesulfonate IUPAC Name: 4-[(4E)-3-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzenesulfonate Traditional Name: 4-[(4E)-5-keto-3-methyl-4-(2-thenylidene)-2-pyrazolin-1-yl]besylate Formula: C15H11N2O4S2- MolecularWeight: 347.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C15H12N2O4S2/c1-10-14(9-12-3-2-8-22-12)15(18)17(16-10)11-4-6-13(7-5-11)23(19,20)21/h2-9H,1H3,(H,19,20,21)/p-1/b14-9+