4-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-thienyl)butan-1-one Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(O2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(O2)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C16H13N3O4S2/c20-13(14-7-3-8-24-14)6-2-9-25-16-18-17-15(23-16)11-4-1-5-12(10-11)19(21)22/h1,3-5,7-8,10H,2,6,9H2