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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-pyridin-2-yl-pyrazole-3-carboxylic acid Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(2-pyridyl)pyrazole-3-carboxylic acid CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-(2-pyridinyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-pyridin-2-ylpyrazole-3-carboxylic acid Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-(2-pyridyl)pyrazole-3-carboxylic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C13H13N3O4S/c17-13(18)11-7-12(10-3-1-2-5-14-10)16(15-11)9-4-6-21(19,20)8-9/h1-3,5,7,9H,4,6,8H2,(H,17,18)/t9-/m0/s1