4-[(5-bromanyl-2-methyl-phenyl)methyl]-1-methyl-5-oxidanylidene-1,2,4-triazole-3-carbaldehyde

Systemtic Name: 4-[(5-bromanyl-2-methyl-phenyl)methyl]-1-methyl-5-oxidanylidene-1,2,4-triazole-3-carbaldehyde Openeye Name: 4-[(5-bromo-2-methyl-phenyl)methyl]-1-methyl-5-oxo-1,2,4-triazole-3-carbaldehyde CAS Name: 4-[(5-bromo-2-methylphenyl)methyl]-1-methyl-5-oxo-1,2,4-triazole-3-carboxaldehyde IUPAC Name: 4-[(5-bromo-2-methylphenyl)methyl]-1-methyl-5-oxo-1,2,4-triazole-3-carbaldehyde Traditional Name: 4-(5-bromo-2-methyl-benzyl)-5-keto-1-methyl-1,2,4-triazole-3-carbaldehyde Formula: C12H12BrN3O2 MolecularWeight: 310.14658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O2/c1-8-3-4-10(13)5-9(8)6-16-11(7-17)14-15(2)12(16)18/h3-5,7H,6H2,1-2H3