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

Systemtic Name: 4-[5-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylmorpholine Openeye Name: 4-[5-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylmorpholine CAS Name: 4-[5-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonylmorpholine IUPAC Name: 4-[5-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylmorpholine Traditional Name: 4-[5-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonylmorpholine Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H17N5O5S2/c24-23(25)14-6-7-15(16(12-14)30(26,27)22-8-10-28-11-9-22)29-18-19-17(20-21-18)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,19,20,21)