1-methyl-7-(triphenylmethyl)sulfanyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-7-(triphenylmethyl)sulfanyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-7-tritylsulfanyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium; trifluoromethanesulfonate CAS Name: 1-methyl-7-[(triphenylmethyl)thio]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-7-tritylsulfanyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-7-(tritylthio)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium triflate Formula: C26H24F3N3O3S2 MolecularWeight: 547.61227

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=[N+](CCC2SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=N1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1C2=[N+](CCC2SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=N1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H24N3S.CHF3O3S/c1-27-24-23(17-18-28(24)19-26-27)29-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;2-1(3,4)8(5,6)7/h2-16,19,23H,17-18H2,1H3;(H,5,6,7)/q+1;/p-1