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

Systemtic Name: 5-azanyl-1-[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-amino-1-[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]triazole-4-carboxylic acid CAS Name: 5-amino-1-[(4-mercapto-2-pyrrolidinyl)-methylsulfonylmethyl]-4-triazolecarboxylic acid IUPAC Name: 5-amino-1-[methylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]triazole-4-carboxylic acid Traditional Name: 5-amino-1-[(4-mercaptopyrrolidin-2-yl)-mesyl-methyl]triazole-4-carboxylic acid Formula: C9H15N5O4S2 MolecularWeight: 321.3765

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(C1CC(CN1)S)N2C(=C(N=N2)C(=O)O)N

Isomeric SMILES

CS(=O)(=O)C(C1CC(CN1)S)N2C(=C(N=N2)C(=O)O)N

InChI

InChI=1S/C9H15N5O4S2/c1-20(17,18)8(5-2-4(19)3-11-5)14-7(10)6(9(15)16)12-13-14/h4-5,8,11,19H,2-3,10H2,1H3,(H,15,16)