4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)-1,2,4-triazole-3-carbonitrile Formula: C12H11BrN4O2 MolecularWeight: 323.14534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=NN=C2C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=NN=C2C#N)Br)OC

InChI

InChI=1S/C12H11BrN4O2/c1-18-10-3-8(9(13)4-11(10)19-2)6-17-7-15-16-12(17)5-14/h3-4,7H,6H2,1-2H3