1-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-2-3-5-14-8-10-15(11-9-14)18(24)13-28-20-22-21-19(27-20)16-6-4-7-17(12-16)23(25)26/h4,6-12H,2-3,5,13H2,1H3