3-methylsulfanyl-1,4,5-triphenyl-1,2,4-triazol-4-ium

Systemtic Name: 3-methylsulfanyl-1,4,5-triphenyl-1,2,4-triazol-4-ium Openeye Name: 3-methylsulfanyl-1,4,5-triphenyl-1,2,4-triazol-4-ium CAS Name: 3-(methylthio)-1,4,5-triphenyl-1,2,4-triazol-4-ium IUPAC Name: 3-methylsulfanyl-1,4,5-triphenyl-1,2,4-triazol-4-ium Traditional Name: 3-(methylthio)-1,4,5-triphenyl-1,2,4-triazol-4-ium Formula: C21H18N3S+ MolecularWeight: 344.45272

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C(=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N3S/c1-25-21-22-24(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)23(21)18-13-7-3-8-14-18/h2-16H,1H3/q+1