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

Systemtic Name: 2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-3-ethyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-[5-(4-bromophenyl)-2-furyl]vinyl]-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-[5-(4-bromophenyl)-2-furanyl]ethenyl]-3-ethyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-[5-(4-bromophenyl)-2-furyl]vinyl]-3-ethyl-1,3-benzothiazol-3-ium Formula: C21H17BrNOS+ MolecularWeight: 411.33478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrNOS/c1-2-23-18-5-3-4-6-20(18)25-21(23)14-12-17-11-13-19(24-17)15-7-9-16(22)10-8-15/h3-14H,2H2,1H3/q+1/b14-12+