1-[1-[2-(4-chlorophenyl)oxiran-2-yl]ethyl]-1,2,4-triazole; methanesulfonate

Systemtic Name: 1-[1-[2-(4-chlorophenyl)oxiran-2-yl]ethyl]-1,2,4-triazole; methanesulfonate Openeye Name: 1-[1-[2-(4-chlorophenyl)oxiran-2-yl]ethyl]-1,2,4-triazole; methanesulfonate CAS Name: 1-[1-[2-(4-chlorophenyl)-2-oxiranyl]ethyl]-1,2,4-triazole; methanesulfonate IUPAC Name: 1-[1-[2-(4-chlorophenyl)oxiran-2-yl]ethyl]-1,2,4-triazole; methanesulfonate Traditional Name: 1-[1-[2-(4-chlorophenyl)oxiran-2-yl]ethyl]-1,2,4-triazole mesylate Formula: C13H15ClN3O4S- MolecularWeight: 344.7939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CO1)C2=CC=C(C=C2)Cl)N3C=NC=N3.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C1(CO1)C2=CC=C(C=C2)Cl)N3C=NC=N3.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H12ClN3O.CH4O3S/c1-9(16-8-14-7-15-16)12(6-17-12)10-2-4-11(13)5-3-10;1-5(2,3)4/h2-5,7-9H,6H2,1H3;1H3,(H,2,3,4)/p-1