1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-chlorophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-chlorophenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-1-(1,1-dioxo-3-thiolanyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-1-(1,1-diketothiolan-3-yl)pyrazole-3-carboxylic acid Formula: C14H13ClN2O4S MolecularWeight: 340.78202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H13ClN2O4S/c15-10-3-1-9(2-4-10)13-7-12(14(18)19)16-17(13)11-5-6-22(20,21)8-11/h1-4,7,11H,5-6,8H2,(H,18,19)