4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl thiophene-2-carboxylate

Systemtic Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl thiophene-2-carboxylate Openeye Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C17H11N3O5S2 MolecularWeight: 401.41634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5S2/c21-16(14-4-3-11-26-14)24-9-1-2-10-27-17-19-18-15(25-17)12-5-7-13(8-6-12)20(22)23/h3-8,11H,9-10H2