1-methyl-3-methylsulfonyl-5-[4-(oxiran-2-ylmethoxy)phenyl]-1,2,4-triazole

Systemtic Name: 1-methyl-3-methylsulfonyl-5-[4-(oxiran-2-ylmethoxy)phenyl]-1,2,4-triazole Openeye Name: 1-methyl-3-methylsulfonyl-5-[4-(oxiran-2-ylmethoxy)phenyl]-1,2,4-triazole CAS Name: 1-methyl-3-methylsulfonyl-5-[4-(2-oxiranylmethoxy)phenyl]-1,2,4-triazole IUPAC Name: 1-methyl-3-methylsulfonyl-5-[4-(oxiran-2-ylmethoxy)phenyl]-1,2,4-triazole Traditional Name: 5-(4-glycidoxyphenyl)-3-mesyl-1-methyl-1,2,4-triazole Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)S(=O)(=O)C)C2=CC=C(C=C2)OCC3CO3

Isomeric SMILES

CN1C(=NC(=N1)S(=O)(=O)C)C2=CC=C(C=C2)OCC3CO3

InChI

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