1-[2-(2,4-dimethylphenyl)sulfonylethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(2,4-dimethylphenyl)sulfonylethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(2,4-dimethylphenyl)sulfonylethyl]triazole-4-carboxylate CAS Name: 1-[2-(2,4-dimethylphenyl)sulfonylethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfonylethyl]triazole-4-carboxylate Traditional Name: 1-[2-(2,4-dimethylphenyl)sulfonylethyl]triazole-4-carboxylate Formula: C13H14N3O4S- MolecularWeight: 308.33296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)CCN2C=C(N=N2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)CCN2C=C(N=N2)C(=O)[O-])C

InChI

InChI=1S/C13H15N3O4S/c1-9-3-4-12(10(2)7-9)21(19,20)6-5-16-8-11(13(17)18)14-15-16/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)/p-1