5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-methyl-benzoic acid

Systemtic Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-methyl-benzoic acid Openeye Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-methyl-benzoic acid CAS Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-methylbenzoic acid Traditional Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfonyl]-2-methyl-benzoic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC2=NN=C(N2C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC2=NN=C(N2C)C)C(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-8-4-5-10(6-11(8)13(17)18)21(19,20)7-12-15-14-9(2)16(12)3/h4-6H,7H2,1-3H3,(H,17,18)