4-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(1-methyl-5-tetrazolyl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(1-methyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C12H14N6O5S2 MolecularWeight: 386.40676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O5S2/c1-16-12(13-14-15-16)24-11-3-2-9(8-10(11)18(19)20)25(21,22)17-4-6-23-7-5-17/h2-3,8H,4-7H2,1H3