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

Systemtic Name: 4-[5-nitro-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylmorpholine Openeye Name: 4-[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[5-nitro-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]phenyl]sulfonylmorpholine IUPAC Name: 4-[5-nitro-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylmorpholine Traditional Name: 4-[2-[(4-allyl-1,2,4-triazol-3-yl)thio]-5-nitro-phenyl]sulfonylmorpholine Formula: C15H17N5O5S2 MolecularWeight: 411.45598

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

C=CCN1C=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C15H17N5O5S2/c1-2-5-18-11-16-17-15(18)26-13-4-3-12(20(21)22)10-14(13)27(23,24)19-6-8-25-9-7-19/h2-4,10-11H,1,5-9H2