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

Systemtic Name: 2-[[1-(5-methylsulfonylpentyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-6-nitro-1,3-benzothiazole CAS Name: 2-[[1-(5-methylsulfonylpentyl)-5-tetrazolyl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-6-nitro-1,3-benzothiazole Traditional Name: 2-[[1-(5-mesylpentyl)tetrazol-5-yl]thio]-6-nitro-1,3-benzothiazole Formula: C14H16N6O4S3 MolecularWeight: 428.50964

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCCN1C(=NN=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CCCCCN1C(=NN=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4S3/c1-27(23,24)8-4-2-3-7-19-13(16-17-18-19)26-14-15-11-6-5-10(20(21)22)9-12(11)25-14/h5-6,9H,2-4,7-8H2,1H3