2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-4-yl)ethanoate

Systemtic Name: 2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-4-yl)ethanoate Openeye Name: 2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-4-yl)acetate CAS Name: 2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-4-yl)acetate IUPAC Name: 2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-4-yl)acetate Traditional Name: 2-(3-mesyl-5-phenyl-1,2,4-triazol-4-yl)acetate Formula: C11H10N3O4S- MolecularWeight: 280.2798

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=C(N1CC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=NN=C(N1CC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O4S/c1-19(17,18)11-13-12-10(14(11)7-9(15)16)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)/p-1