1-methyl-3-[(E)-2-(triphenylmethyl)sulfanylethenyl]pyridin-1-ium iodide

Systemtic Name: 1-methyl-3-[(E)-2-(triphenylmethyl)sulfanylethenyl]pyridin-1-ium iodide Openeye Name: 1-methyl-3-[(E)-2-tritylsulfanylvinyl]pyridin-1-ium iodide CAS Name: 1-methyl-3-[(E)-2-[(triphenylmethyl)thio]ethenyl]pyridin-1-ium iodide IUPAC Name: 1-methyl-3-[(E)-2-tritylsulfanylethenyl]pyridin-1-ium iodide Traditional Name: 1-methyl-3-[(E)-2-(tritylthio)vinyl]pyridin-1-ium iodide Formula: C27H24INS MolecularWeight: 521.45563

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C=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/c1-28-20-11-12-23(22-28)19-21-29-27(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26;/h2-22H,1H3;1H/q+1;/p-1/b21-19+;