5-pentylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-pentylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-pentylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 5-pentylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-pentylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 5-amylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid Formula: C8H12N2O4S2 MolecularWeight: 264.32188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=NN=C(S1)C(=O)O

Isomeric SMILES

CCCCCS(=O)(=O)C1=NN=C(S1)C(=O)O

InChI

InChI=1S/C8H12N2O4S2/c1-2-3-4-5-16(13,14)8-10-9-6(15-8)7(11)12/h2-5H2,1H3,(H,11,12)