2-[3-[5-(1,3-benzothiazol-2-yl)-1,3-diethyl-benzimidazol-1-ium-2-yl]prop-2-enylidene]-3-ethyl-5-methoxy-1,3-benzothiazole

Systemtic Name: 2-[3-[5-(1,3-benzothiazol-2-yl)-1,3-diethyl-benzimidazol-1-ium-2-yl]prop-2-enylidene]-3-ethyl-5-methoxy-1,3-benzothiazole Openeye Name: 2-[3-[5-(1,3-benzothiazol-2-yl)-1,3-diethyl-benzimidazol-1-ium-2-yl]prop-2-enylidene]-3-ethyl-5-methoxy-1,3-benzothiazole CAS Name: 2-[3-[5-(1,3-benzothiazol-2-yl)-1,3-diethyl-2-benzimidazol-1-iumyl]prop-2-enylidene]-3-ethyl-5-methoxy-1,3-benzothiazole IUPAC Name: 2-[3-[5-(1,3-benzothiazol-2-yl)-1,3-diethylbenzimidazol-1-ium-2-yl]prop-2-enylidene]-3-ethyl-5-methoxy-1,3-benzothiazole Traditional Name: 2-[3-[5-(1,3-benzothiazol-2-yl)-1,3-diethyl-benzimidazol-1-ium-2-yl]prop-2-enylidene]-3-ethyl-5-methoxy-1,3-benzothiazole Formula: C31H31N4OS2+ MolecularWeight: 539.73404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)[N+](=C1C=CC=C5N(C6=C(S5)C=CC(=C6)OC)CC)CC

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)[N+](=C1C=CC=C5N(C6=C(S5)C=CC(=C6)OC)CC)CC

InChI

InChI=1S/C31H31N4OS2/c1-5-33-24-17-15-21(31-32-23-11-8-9-12-27(23)38-31)19-25(24)34(6-2)29(33)13-10-14-30-35(7-3)26-20-22(36-4)16-18-28(26)37-30/h8-20H,5-7H2,1-4H3/q+1