6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-2-phenylethenyl]-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl]-2,3-dihydrophthalazine-1,4-dione chloride

Systemtic Name: 6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-2-phenylethenyl]-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl]-2,3-dihydrophthalazine-1,4-dione chloride Openeye Name: 6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-styryl]-1,3-dihydrotetrazol-3-ium-2-yl]-2,3-dihydrophthalazine-1,4-dione chloride CAS Name: 6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-2-phenylethenyl]-1,3-dihydrotetrazol-3-ium-2-yl]-2,3-dihydrophthalazine-1,4-dione chloride IUPAC Name: 6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-2-phenylethenyl]-1,3-dihydrotetrazol-3-ium-2-yl]-2,3-dihydrophthalazine-1,4-dione chloride Traditional Name: 6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-styryl]-1,3-dihydrotetrazol-3-ium-2-yl]-2,3-dihydrophthalazine-1,4-quinone chloride Formula: C24H18ClN7O2S MolecularWeight: 503.96342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=N[NH+](N(N2)C3=CC4=C(C=C3)C(=O)NNC4=O)C5=NC6=CC=CC=C6S5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=N[NH+](N(N2)C3=CC4=C(C=C3)C(=O)NNC4=O)C5=NC6=CC=CC=C6S5.[Cl-]

InChI

InChI=1S/C24H17N7O2S.ClH/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24;/h1-14H,(H,26,32)(H,27,33)(H,28,29);1H/b13-10+;