3-methoxy-1-methyl-5-methylsulfanyl-1,2,4-triazin-1-ium iodide

Systemtic Name: 3-methoxy-1-methyl-5-methylsulfanyl-1,2,4-triazin-1-ium iodide Openeye Name: 3-methoxy-1-methyl-5-methylsulfanyl-1,2,4-triazin-1-ium iodide CAS Name: 3-methoxy-1-methyl-5-(methylthio)-1,2,4-triazin-1-ium iodide IUPAC Name: 3-methoxy-1-methyl-5-methylsulfanyl-1,2,4-triazin-1-ium iodide Traditional Name: 3-methoxy-1-methyl-5-(methylthio)-1,2,4-triazin-1-ium iodide Formula: C6H10IN3OS MolecularWeight: 299.13257

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(=NC(=C1)SC)OC.[I-]

Isomeric SMILES

C[N+]1=NC(=NC(=C1)SC)OC.[I-]

InChI

InChI=1S/C6H10N3OS.HI/c1-9-4-5(11-3)7-6(8-9)10-2;/h4H,1-3H3;1H/q+1;/p-1