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

Systemtic Name: 4-[5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]sulfonylmorpholine Openeye Name: 4-[5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-phenyl]sulfonylmorpholine CAS Name: 4-[5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]phenyl]sulfonylmorpholine IUPAC Name: 4-[5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylphenyl]sulfonylmorpholine Traditional Name: 4-[5-nitro-2-[(1-phenyltetrazol-5-yl)thio]phenyl]sulfonylmorpholine Formula: C17H16N6O5S2 MolecularWeight: 448.47614

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H16N6O5S2/c24-23(25)14-6-7-15(16(12-14)30(26,27)21-8-10-28-11-9-21)29-17-18-19-20-22(17)13-4-2-1-3-5-13/h1-7,12H,8-11H2