3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium bromide

Systemtic Name: 3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium bromide Openeye Name: 3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium bromide CAS Name: 3-(methylthio)-1,4-diphenyl-1,2,4-triazol-4-ium bromide IUPAC Name: 3-methylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium bromide Traditional Name: 3-(methylthio)-1,4-diphenyl-1,2,4-triazol-4-ium bromide Formula: C15H14BrN3S MolecularWeight: 348.26076

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C=[N+]1C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CSC1=NN(C=[N+]1C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C15H14N3S.BrH/c1-19-15-16-18(14-10-6-3-7-11-14)12-17(15)13-8-4-2-5-9-13;/h2-12H,1H3;1H/q+1;/p-1