1-[(3-bromanyl-4-methoxy-phenyl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-1,2,4-triazole-3-carbonitrile Formula: C11H9BrN4O MolecularWeight: 293.11936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC(=N2)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC(=N2)C#N)Br

InChI

InChI=1S/C11H9BrN4O/c1-17-10-3-2-8(4-9(10)12)6-16-7-14-11(5-13)15-16/h2-4,7H,6H2,1H3