propyl 3-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate

Systemtic Name: propyl 3-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: propyl 3-[[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl]thio]propanoic acid propyl ester IUPAC Name: propyl 3-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]thio]propionic acid propyl ester Formula: C12H13N3O5S2 MolecularWeight: 343.37872

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCSC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)CCSC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S2/c1-2-6-19-10(16)5-7-21-12-14-13-11(22-12)8-3-4-9(20-8)15(17)18/h3-4H,2,5-7H2,1H3