5-methyl-3-phenyl-1H-1,2,4-triazol-4-ium iodide

Systemtic Name: 5-methyl-3-phenyl-1H-1,2,4-triazol-4-ium iodide Openeye Name: 5-methyl-3-phenyl-1H-1,2,4-triazol-4-ium iodide CAS Name: 5-methyl-3-phenyl-1H-1,2,4-triazol-4-ium iodide IUPAC Name: 5-methyl-3-phenyl-1H-1,2,4-triazol-4-ium iodide Traditional Name: 5-methyl-3-phenyl-1H-1,2,4-triazol-4-ium iodide Formula: C9H10IN3 MolecularWeight: 287.10027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=NN1)C2=CC=CC=C2.[I-]

Isomeric SMILES

CC1=[NH+]C(=NN1)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C9H9N3.HI/c1-7-10-9(12-11-7)8-5-3-2-4-6-8;/h2-6H,1H3,(H,10,11,12);1H