1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(5-chloranylthiophen-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(5-chloranylthiophen-2-yl)pyrazole-4-carboxylic acid Openeye Name: 3-(5-chloro-2-thienyl)-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid CAS Name: 3-(5-chloro-2-thiophenyl)-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(5-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid Traditional Name: 3-(5-chloro-2-thienyl)-1-(1,1-diketothiolan-3-yl)pyrazole-4-carboxylic acid Formula: C12H11ClN2O4S2 MolecularWeight: 346.80974

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C=C(C(=N2)C3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1N2C=C(C(=N2)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C12H11ClN2O4S2/c13-10-2-1-9(20-10)11-8(12(16)17)5-15(14-11)7-3-4-21(18,19)6-7/h1-2,5,7H,3-4,6H2,(H,16,17)