2-ethyl-3-methyl-4,5-diphenyl-1,2-thiazol-2-ium iodide

Systemtic Name: 2-ethyl-3-methyl-4,5-diphenyl-1,2-thiazol-2-ium iodide Openeye Name: 2-ethyl-3-methyl-4,5-diphenyl-isothiazol-2-ium iodide CAS Name: 2-ethyl-3-methyl-4,5-diphenylisothiazol-2-ium iodide IUPAC Name: 2-ethyl-3-methyl-4,5-diphenyl-1,2-thiazol-2-ium iodide Traditional Name: 2-ethyl-3-methyl-4,5-diphenyl-isothiazol-2-ium iodide Formula: C18H18INS MolecularWeight: 407.31169

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+]1=C(C(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C18H18NS.HI/c1-3-19-14(2)17(15-10-6-4-7-11-15)18(20-19)16-12-8-5-9-13-16;/h4-13H,3H2,1-2H3;1H/q+1;/p-1