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

Systemtic Name: propyl 3-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: propyl 3-[[5-(5-nitro-2-thienyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(5-nitro-2-thiophenyl)-1,3,4-thiadiazol-2-yl]thio]propanoic acid propyl ester IUPAC Name: propyl 3-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(5-nitro-2-thienyl)-1,3,4-thiadiazol-2-yl]thio]propionic acid propyl ester Formula: C12H13N3O4S3 MolecularWeight: 359.44432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCSC1=NN=C(S1)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)CCSC1=NN=C(S1)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S3/c1-2-6-19-10(16)5-7-20-12-14-13-11(22-12)8-3-4-9(21-8)15(17)18/h3-4H,2,5-7H2,1H3