1-methyl-2-[(E)-2-(triphenylmethyl)sulfanylethenyl]pyridin-1-ium iodide

Systemtic Name: 1-methyl-2-[(E)-2-(triphenylmethyl)sulfanylethenyl]pyridin-1-ium iodide Openeye Name: 1-methyl-2-[(E)-2-tritylsulfanylvinyl]pyridin-1-ium iodide CAS Name: 1-methyl-2-[(E)-2-[(triphenylmethyl)thio]ethenyl]pyridin-1-ium iodide IUPAC Name: 1-methyl-2-[(E)-2-tritylsulfanylethenyl]pyridin-1-ium iodide Traditional Name: 1-methyl-2-[(E)-2-(tritylthio)vinyl]pyridin-1-ium iodide Formula: C27H24INS MolecularWeight: 521.45563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H24NS.HI/c1-28-21-12-11-19-26(28)20-22-29-27(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25;/h2-22H,1H3;1H/q+1;/p-1/b22-20+;