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

Systemtic Name: 1-(3-nitrophenyl)-2-[[5-(4-pentylcyclohexyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(3-nitrophenyl)-2-[[5-(4-pentylcyclohexyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(3-nitrophenyl)-2-[[5-(4-pentylcyclohexyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(3-nitrophenyl)-2-[[5-(4-pentylcyclohexyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 2-[[5-(4-amylcyclohexyl)-1,3,4-oxadiazol-2-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=NN=C(O2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1CCC(CC1)C2=NN=C(O2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4S/c1-2-3-4-6-15-9-11-16(12-10-15)20-22-23-21(28-20)29-14-19(25)17-7-5-8-18(13-17)24(26)27/h5,7-8,13,15-16H,2-4,6,9-12,14H2,1H3