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

Systemtic Name: 6-ethoxy-2-[3-naphthalen-1-yl-5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-ium-2-yl]-1,3-benzothiazole Openeye Name: 6-ethoxy-2-[3-(1-naphthyl)-5-(4-nitrophenyl)tetrazol-2-ium-2-yl]-1,3-benzothiazole CAS Name: 6-ethoxy-2-[3-(1-naphthalenyl)-5-(4-nitrophenyl)-2-tetrazol-2-iumyl]-1,3-benzothiazole IUPAC Name: 6-ethoxy-2-[3-naphthalen-1-yl-5-(4-nitrophenyl)tetrazol-2-ium-2-yl]-1,3-benzothiazole Traditional Name: 6-ethoxy-2-[3-(1-naphthyl)-5-(4-nitrophenyl)tetrazol-2-ium-2-yl]-1,3-benzothiazole Formula: C26H19N6O3S+ MolecularWeight: 495.53246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)[N+]3=NC(=NN3C4=CC=CC5=CC=CC=C54)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)[N+]3=NC(=NN3C4=CC=CC5=CC=CC=C54)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H19N6O3S/c1-2-35-20-14-15-22-24(16-20)36-26(27-22)31-29-25(18-10-12-19(13-11-18)32(33)34)28-30(31)23-9-5-7-17-6-3-4-8-21(17)23/h3-16H,2H2,1H3/q+1