5-[3,5-bis(iodanyl)-2-methoxy-phenyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[3,5-bis(iodanyl)-2-methoxy-phenyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-(3,5-diiodo-2-methoxy-phenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(3,5-diiodo-2-methoxyphenyl)-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(3,5-diiodo-2-methoxyphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(3,5-diiodo-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]amine Formula: C9H8I2N4O MolecularWeight: 441.99496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C2=NC(=NN2)N)I)I

Isomeric SMILES

COC1=C(C=C(C=C1C2=NC(=NN2)N)I)I

InChI

InChI=1S/C9H8I2N4O/c1-16-7-5(2-4(10)3-6(7)11)8-13-9(12)15-14-8/h2-3H,1H3,(H3,12,13,14,15)