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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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