1,6-dimethyl-3,5-bis(methylsulfanyl)-1,2,4-triazin-1-ium iodide

Systemtic Name: 1,6-dimethyl-3,5-bis(methylsulfanyl)-1,2,4-triazin-1-ium iodide Openeye Name: 1,6-dimethyl-3,5-bis(methylsulfanyl)-1,2,4-triazin-1-ium iodide CAS Name: 1,6-dimethyl-3,5-bis(methylthio)-1,2,4-triazin-1-ium iodide IUPAC Name: 1,6-dimethyl-3,5-bis(methylsulfanyl)-1,2,4-triazin-1-ium iodide Traditional Name: 1,6-dimethyl-3,5-bis(methylthio)-1,2,4-triazin-1-ium iodide Formula: C7H12IN3S2 MolecularWeight: 329.22475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=[N+]1C)SC)SC.[I-]

Isomeric SMILES

CC1=C(N=C(N=[N+]1C)SC)SC.[I-]

InChI

InChI=1S/C7H12N3S2.HI/c1-5-6(11-3)8-7(12-4)9-10(5)2;/h1-4H3;1H/q+1;/p-1