5-methyl-2-(4-methylsulfonylphenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-methyl-2-(4-methylsulfonylphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-methyl-2-(4-methylsulfonylphenyl)triazole-4-carboxylic acid CAS Name: 5-methyl-2-(4-methylsulfonylphenyl)-4-triazolecarboxylic acid IUPAC Name: 5-methyl-2-(4-methylsulfonylphenyl)triazole-4-carboxylic acid Traditional Name: 2-(4-mesylphenyl)-5-methyl-triazole-4-carboxylic acid Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=NN(N=C1C(=O)O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C11H11N3O4S/c1-7-10(11(15)16)13-14(12-7)8-3-5-9(6-4-8)19(2,17)18/h3-6H,1-2H3,(H,15,16)