4-[(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[[5-(4-chlorophenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-4-[[5-(4-chlorophenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-4-[[5-(4-chlorophenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C21H15ClN2O5S MolecularWeight: 442.8722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C21H15ClN2O5S/c1-13-19(12-17-8-11-20(29-17)14-2-4-15(22)5-3-14)21(25)24(23-13)16-6-9-18(10-7-16)30(26,27)28/h2-12H,1H3,(H,26,27,28)/b19-12-