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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-pyridin-3-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(1,1-dioxothiolan-3-yl)-3-(3-pyridyl)pyrazole-4-carboxylic acid CAS Name: 1-(1,1-dioxo-3-thiolanyl)-3-(3-pyridinyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-3-pyridin-3-ylpyrazole-4-carboxylic acid Traditional Name: 1-(1,1-diketothiolan-3-yl)-3-(3-pyridyl)pyrazole-4-carboxylic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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