2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-[(E)-2-[5-(4-bromophenyl)-2-furyl]vinyl]-3-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-[(E)-2-[5-(4-bromophenyl)-2-furanyl]ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-[(E)-2-[5-(4-bromophenyl)-2-furyl]vinyl]-3-methyl-1,3-benzothiazol-3-ium iodide Formula: C20H15BrINOS MolecularWeight: 524.21267

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(O3)C4=CC=C(C=C4)Br.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(O3)C4=CC=C(C=C4)Br.[I-]

InChI

InChI=1S/C20H15BrNOS.HI/c1-22-17-4-2-3-5-19(17)24-20(22)13-11-16-10-12-18(23-16)14-6-8-15(21)9-7-14;/h2-13H,1H3;1H/q+1;/p-1/b13-11+;