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

Systemtic Name: 5-methyl-1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-methyl-1-[2-naphthylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]triazole-4-carboxylic acid CAS Name: 1-[(4-mercapto-2-pyrrolidinyl)-(2-naphthalenylsulfonyl)methyl]-5-methyl-4-triazolecarboxylic acid IUPAC Name: 5-methyl-1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]triazole-4-carboxylic acid Traditional Name: 1-[(4-mercaptopyrrolidin-2-yl)-(2-naphthylsulfonyl)methyl]-5-methyl-triazole-4-carboxylic acid Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C(C2CC(CN2)S)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C(C2CC(CN2)S)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C19H20N4O4S2/c1-11-17(19(24)25)21-22-23(11)18(16-9-14(28)10-20-16)29(26,27)15-7-6-12-4-2-3-5-13(12)8-15/h2-8,14,16,18,20,28H,9-10H2,1H3,(H,24,25)