1-methyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,3,4-tetrazole

Systemtic Name: 1-methyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,3,4-tetrazole Openeye Name: 1-methyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-tetrazole CAS Name: 1-methyl-5-[(4-methylsulfonyl-2-nitrophenyl)thio]tetrazole IUPAC Name: 1-methyl-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyltetrazole Traditional Name: 5-[(4-mesyl-2-nitro-phenyl)thio]-1-methyl-tetrazole Formula: C9H9N5O4S2 MolecularWeight: 315.32886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O4S2/c1-13-9(10-11-12-13)19-8-4-3-6(20(2,17)18)5-7(8)14(15)16/h3-5H,1-2H3