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

Systemtic Name: 5-methyl-1-[2-(1-methylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-methyl-1-[2-(1-methylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(4-mercapto-1-methylsulfonyl-2-pyrrolidinyl)ethyl]-5-methyl-4-triazolecarboxylic acid IUPAC Name: 5-methyl-1-[2-(1-methylsulfonyl-4-sulfanylpyrrolidin-2-yl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(4-mercapto-1-mesyl-pyrrolidin-2-yl)ethyl]-5-methyl-triazole-4-carboxylic acid Formula: C11H18N4O4S2 MolecularWeight: 334.41502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1CCC2CC(CN2S(=O)(=O)C)S)C(=O)O

Isomeric SMILES

CC1=C(N=NN1CCC2CC(CN2S(=O)(=O)C)S)C(=O)O

InChI

InChI=1S/C11H18N4O4S2/c1-7-10(11(16)17)12-13-14(7)4-3-8-5-9(20)6-15(8)21(2,18)19/h8-9,20H,3-6H2,1-2H3,(H,16,17)