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

Systemtic Name: 6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2,3,4-tetrazol-3-ium-2-yl]phthalazine-1,4-dione Openeye Name: 6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-styryl]tetrazol-3-ium-2-yl]phthalazine-1,4-dione CAS Name: 6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-2-phenylethenyl]-2-tetrazol-3-iumyl]phthalazine-1,4-dione IUPAC Name: 6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-2-phenylethenyl]tetrazol-3-ium-2-yl]phthalazine-1,4-dione Traditional Name: 6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-styryl]tetrazol-3-ium-2-yl]phthalazine-1,4-quinone Formula: C24H14N7O2S+ MolecularWeight: 464.47866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NN([N+](=N2)C3=NC4=CC=CC=C4S3)C5=CC6=C(C=C5)C(=O)N=NC6=O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NN([N+](=N2)C3=NC4=CC=CC=C4S3)C5=CC6=C(C=C5)C(=O)N=NC6=O

InChI

InChI=1S/C24H14N7O2S/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/q+1/b13-10+