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

Systemtic Name: 4-[3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylmorpholine Openeye Name: 4-[4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylmorpholine Traditional Name: 4-[4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C15H19N5O5S2 MolecularWeight: 413.47186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5S2/c1-10(2)14-16-15(18-17-14)26-13-4-3-11(9-12(13)20(21)22)27(23,24)19-5-7-25-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,16,17,18)