2-(5,5-dimethylhexyl)-5-(phenylmethylsulfanyl)-1,3,4-oxadiazole

Systemtic Name: 2-(5,5-dimethylhexyl)-5-(phenylmethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-benzylsulfanyl-5-(5,5-dimethylhexyl)-1,3,4-oxadiazole CAS Name: 2-(5,5-dimethylhexyl)-5-(phenylmethylthio)-1,3,4-oxadiazole IUPAC Name: 2-benzylsulfanyl-5-(5,5-dimethylhexyl)-1,3,4-oxadiazole Traditional Name: 2-(benzylthio)-5-(5,5-dimethylhexyl)-1,3,4-oxadiazole Formula: C17H24N2OS MolecularWeight: 304.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCC1=NN=C(O1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CCCCC1=NN=C(O1)SCC2=CC=CC=C2

InChI

InChI=1S/C17H24N2OS/c1-17(2,3)12-8-7-11-15-18-19-16(20-15)21-13-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3