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

Systemtic Name: 4-[3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]sulfonylmorpholine Openeye Name: 4-[4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[3-nitro-4-[(1-propan-2-yl-5-tetrazolyl)thio]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylphenyl]sulfonylmorpholine Traditional Name: 4-[4-[(1-isopropyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C14H18N6O5S2 MolecularWeight: 414.45992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O5S2/c1-10(2)19-14(15-16-17-19)26-13-4-3-11(9-12(13)20(21)22)27(23,24)18-5-7-25-8-6-18/h3-4,9-10H,5-8H2,1-2H3