5-methyl-1-[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-methyl-1-[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-methyl-1-[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]triazole-4-carboxylic acid CAS Name: 1-[(4-mercapto-2-pyrrolidinyl)-methylsulfonylmethyl]-5-methyl-4-triazolecarboxylic acid IUPAC Name: 5-methyl-1-[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]triazole-4-carboxylic acid Traditional Name: 1-[(4-mercaptopyrrolidin-2-yl)-mesyl-methyl]-5-methyl-triazole-4-carboxylic acid Formula: C10H16N4O4S2 MolecularWeight: 320.38844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C(C2CC(CN2)S)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C(C2CC(CN2)S)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C10H16N4O4S2/c1-5-8(10(15)16)12-13-14(5)9(20(2,17)18)7-3-6(19)4-11-7/h6-7,9,11,19H,3-4H2,1-2H3,(H,15,16)