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

Systemtic Name: 4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C13H15N5O5S2 MolecularWeight: 385.4187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5S2/c1-16-9-14-15-13(16)24-12-3-2-10(8-11(12)18(19)20)25(21,22)17-4-6-23-7-5-17/h2-3,8-9H,4-7H2,1H3