2-[(4-nitrophenyl)methylsulfanyl]-5-(4-pentylcyclohexyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(4-pentylcyclohexyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(4-pentylcyclohexyl)-1,3,4-oxadiazole CAS Name: 2-[(4-nitrophenyl)methylthio]-5-(4-pentylcyclohexyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(4-pentylcyclohexyl)-1,3,4-oxadiazole Traditional Name: 2-(4-amylcyclohexyl)-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1CCC(CC1)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O3S/c1-2-3-4-5-15-6-10-17(11-7-15)19-21-22-20(26-19)27-14-16-8-12-18(13-9-16)23(24)25/h8-9,12-13,15,17H,2-7,10-11,14H2,1H3