1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C12H9BrN4O2 MolecularWeight: 321.12946

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CN3C=NC(=N3)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CN3C=NC(=N3)C#N

InChI

InChI=1S/C12H9BrN4O2/c13-9-4-11-10(18-1-2-19-11)3-8(9)6-17-7-15-12(5-14)16-17/h3-4,7H,1-2,6H2