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

Systemtic Name: 1-(azocan-1-yl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c22-15(20-9-4-2-1-3-5-10-20)12-26-17-19-18-16(25-17)13-7-6-8-14(11-13)21(23)24/h6-8,11H,1-5,9-10,12H2