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

Systemtic Name: 4-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C14H17N5O5S2 MolecularWeight: 399.44528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O5S2/c1-10-15-16-14(17(10)2)25-13-4-3-11(9-12(13)19(20)21)26(22,23)18-5-7-24-8-6-18/h3-4,9H,5-8H2,1-2H3