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

Systemtic Name: 3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)-2-furyl]vinyl]-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)-2-furanyl]ethenyl]-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)-2-furyl]vinyl]-1,3-benzothiazol-3-ium iodide Formula: C21H17IN2O3S MolecularWeight: 504.34075

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)[N+](=O)[O-].[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17N2O3S.HI/c1-2-22-18-5-3-4-6-20(18)27-21(22)14-12-17-11-13-19(26-17)15-7-9-16(10-8-15)23(24)25;/h3-14H,2H2,1H3;1H/q+1;/p-1/b14-12+;