2-(4-methyl-5-propan-2-ylsulfonyl-1,2,4-triazol-3-yl)ethanoic acid

Systemtic Name: 2-(4-methyl-5-propan-2-ylsulfonyl-1,2,4-triazol-3-yl)ethanoic acid Openeye Name: 2-(5-isopropylsulfonyl-4-methyl-1,2,4-triazol-3-yl)acetic acid CAS Name: 2-(4-methyl-5-propan-2-ylsulfonyl-1,2,4-triazol-3-yl)acetic acid IUPAC Name: 2-(4-methyl-5-propan-2-ylsulfonyl-1,2,4-triazol-3-yl)acetic acid Traditional Name: 2-(5-isopropylsulfonyl-4-methyl-1,2,4-triazol-3-yl)acetic acid Formula: C8H13N3O4S MolecularWeight: 247.27152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NN=C(N1C)CC(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=NN=C(N1C)CC(=O)O

InChI

InChI=1S/C8H13N3O4S/c1-5(2)16(14,15)8-10-9-6(11(8)3)4-7(12)13/h5H,4H2,1-3H3,(H,12,13)