1-(2-thiophen-2-ylsulfonylethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2-thiophen-2-ylsulfonylethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-thienylsulfonyl)ethyl]triazole-4-carboxylic acid CAS Name: 1-(2-thiophen-2-ylsulfonylethyl)-4-triazolecarboxylic acid IUPAC Name: 1-(2-thiophen-2-ylsulfonylethyl)triazole-4-carboxylic acid Traditional Name: 1-[2-(2-thienylsulfonyl)ethyl]triazole-4-carboxylic acid Formula: C9H9N3O4S2 MolecularWeight: 287.31546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)CCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)CCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C9H9N3O4S2/c13-9(14)7-6-12(11-10-7)3-5-18(15,16)8-2-1-4-17-8/h1-2,4,6H,3,5H2,(H,13,14)