4-[[3-(bromomethyl)phenyl]methyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one

Systemtic Name: 4-[[3-(bromomethyl)phenyl]methyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one Openeye Name: 4-[[3-(bromomethyl)phenyl]methyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one CAS Name: 4-[[3-(bromomethyl)phenyl]methyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one IUPAC Name: 4-[[3-(bromomethyl)phenyl]methyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one Traditional Name: 4-[3-(bromomethyl)benzyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one Formula: C12H14BrN3O2 MolecularWeight: 312.16246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=N1)OC)CC2=CC(=CC=C2)CBr

Isomeric SMILES

CN1C(=O)N(C(=N1)OC)CC2=CC(=CC=C2)CBr

InChI

InChI=1S/C12H14BrN3O2/c1-15-12(17)16(11(14-15)18-2)8-10-5-3-4-9(6-10)7-13/h3-6H,7-8H2,1-2H3