2-[3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[3-(4-nitrophenyl)-5-phenyl-tetrazol-2-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[3-(4-nitrophenyl)-5-phenyl-2-tetrazol-2-iumyl]-1,3-benzothiazole IUPAC Name: 2-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[3-(4-nitrophenyl)-5-phenyl-tetrazol-2-ium-2-yl]-1,3-benzothiazole Formula: C20H13N6O2S+ MolecularWeight: 401.42122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N6O2S/c27-26(28)16-12-10-15(11-13-16)24-22-19(14-6-2-1-3-7-14)23-25(24)20-21-17-8-4-5-9-18(17)29-20/h1-13H/q+1