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

Systemtic Name: 6-methylsulfonyl-2-[[1-(5-nitrothiophen-2-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 6-methylsulfonyl-2-[1-(5-nitro-2-thienyl)tetrazol-5-yl]sulfanyl-1,3-benzothiazole CAS Name: 6-methylsulfonyl-2-[[1-(5-nitro-2-thiophenyl)-5-tetrazolyl]thio]-1,3-benzothiazole IUPAC Name: 6-methylsulfonyl-2-[1-(5-nitrothiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-benzothiazole Traditional Name: 6-mesyl-2-[[1-(5-nitro-2-thienyl)tetrazol-5-yl]thio]-1,3-benzothiazole Formula: C13H8N6O4S4 MolecularWeight: 440.50042

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=NN3C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=NN3C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C13H8N6O4S4/c1-27(22,23)7-2-3-8-9(6-7)24-13(14-8)26-12-15-16-17-18(12)10-4-5-11(25-10)19(20)21/h2-6H,1H3