5-methyl-3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium iodide

Systemtic Name: 5-methyl-3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium iodide Openeye Name: 5-methyl-3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium iodide CAS Name: 5-methyl-3-(methylthio)-1,4-diphenyl-1,2,4-triazol-4-ium iodide IUPAC Name: 5-methyl-3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium iodide Traditional Name: 5-methyl-3-(methylthio)-1,4-diphenyl-1,2,4-triazol-4-ium iodide Formula: C16H16IN3S MolecularWeight: 409.28781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C2=CC=CC=C2)SC)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=[N+](C(=NN1C2=CC=CC=C2)SC)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C16H16N3S.HI/c1-13-18(14-9-5-3-6-10-14)16(20-2)17-19(13)15-11-7-4-8-12-15;/h3-12H,1-2H3;1H/q+1;/p-1