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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(1,1-dioxothiolan-3-yl)-3-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(1,1-dioxo-3-thiolanyl)-3-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(1,1-diketothiolan-3-yl)-3-phenyl-pyrazole-4-carboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4S/c17-14(18)12-8-16(11-6-7-21(19,20)9-11)15-13(12)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,17,18)