4-[(5-bromanyl-2-methyl-phenyl)methyl]-5-(hydroxymethyl)-2-methyl-1,2,4-triazol-3-one

Systemtic Name: 4-[(5-bromanyl-2-methyl-phenyl)methyl]-5-(hydroxymethyl)-2-methyl-1,2,4-triazol-3-one Openeye Name: 4-[(5-bromo-2-methyl-phenyl)methyl]-5-(hydroxymethyl)-2-methyl-1,2,4-triazol-3-one CAS Name: 4-[(5-bromo-2-methylphenyl)methyl]-5-(hydroxymethyl)-2-methyl-1,2,4-triazol-3-one IUPAC Name: 4-[(5-bromo-2-methylphenyl)methyl]-5-(hydroxymethyl)-2-methyl-1,2,4-triazol-3-one Traditional Name: 4-(5-bromo-2-methyl-benzyl)-2-methyl-5-methylol-1,2,4-triazol-3-one Formula: C12H14BrN3O2 MolecularWeight: 312.16246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)CN2C(=NN(C2=O)C)CO

Isomeric SMILES

CC1=C(C=C(C=C1)Br)CN2C(=NN(C2=O)C)CO

InChI

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