1-[2-(phenylmethyl)sulfonylethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(phenylmethyl)sulfonylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-benzylsulfonylethyl)triazole-4-carboxylic acid CAS Name: 1-[2-(phenylmethyl)sulfonylethyl]-4-triazolecarboxylic acid IUPAC Name: 1-(2-benzylsulfonylethyl)triazole-4-carboxylic acid Traditional Name: 1-(2-benzylsulfonylethyl)triazole-4-carboxylic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C12H13N3O4S/c16-12(17)11-8-15(14-13-11)6-7-20(18,19)9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,16,17)