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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C15H19N5O5S2/c1-2-3-14-16-15(18-17-14)26-12-5-4-11(20(21)22)10-13(12)27(23,24)19-6-8-25-9-7-19/h4-5,10H,2-3,6-9H2,1H3,(H,16,17,18)