6-nitro-2-[[1-(4-phenoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[[1-(4-phenoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[1-(4-phenoxyphenyl)tetrazol-5-yl]sulfanyl-1,3-benzothiazole CAS Name: 6-nitro-2-[[1-(4-phenoxyphenyl)-5-tetrazolyl]thio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[1-(4-phenoxyphenyl)tetrazol-5-yl]sulfanyl-1,3-benzothiazole Traditional Name: 6-nitro-2-[[1-(4-phenoxyphenyl)tetrazol-5-yl]thio]-1,3-benzothiazole Formula: C20H12N6O3S2 MolecularWeight: 448.47768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NN=N3)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NN=N3)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H12N6O3S2/c27-26(28)14-8-11-17-18(12-14)30-20(21-17)31-19-22-23-24-25(19)13-6-9-16(10-7-13)29-15-4-2-1-3-5-15/h1-12H