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

Systemtic Name: 5-methyl-3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium Openeye Name: 5-methyl-3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium CAS Name: 5-methyl-3-(methylthio)-1,4-diphenyl-1,2,4-triazol-4-ium IUPAC Name: 5-methyl-3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium Traditional Name: 5-methyl-3-(methylthio)-1,4-diphenyl-1,2,4-triazol-4-ium Formula: C16H16N3S+ MolecularWeight: 282.38334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N3S/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/q+1