1-(2-cyclohexylethyl)-5-[4-(iodanylmethyl)-2,6-dimethoxy-phenyl]-1,2,4-triazol-3-amine

Systemtic Name: 1-(2-cyclohexylethyl)-5-[4-(iodanylmethyl)-2,6-dimethoxy-phenyl]-1,2,4-triazol-3-amine Openeye Name: 1-(2-cyclohexylethyl)-5-[4-(iodomethyl)-2,6-dimethoxy-phenyl]-1,2,4-triazol-3-amine CAS Name: 1-(2-cyclohexylethyl)-5-[4-(iodomethyl)-2,6-dimethoxyphenyl]-1,2,4-triazol-3-amine IUPAC Name: 1-(2-cyclohexylethyl)-5-[4-(iodomethyl)-2,6-dimethoxyphenyl]-1,2,4-triazol-3-amine Traditional Name: [1-(2-cyclohexylethyl)-5-[4-(iodomethyl)-2,6-dimethoxy-phenyl]-1,2,4-triazol-3-yl]amine Formula: C19H27IN4O2 MolecularWeight: 470.34775

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C2=NC(=NN2CCC3CCCCC3)N)OC)CI

Isomeric SMILES

COC1=CC(=CC(=C1C2=NC(=NN2CCC3CCCCC3)N)OC)CI

InChI

InChI=1S/C19H27IN4O2/c1-25-15-10-14(12-20)11-16(26-2)17(15)18-22-19(21)23-24(18)9-8-13-6-4-3-5-7-13/h10-11,13H,3-9,12H2,1-2H3,(H2,21,23)