2-heptylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-heptylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-heptylsulfanyl-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-(heptylthio)-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-heptylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(heptylthio)-5-(p-tolyl)-1,3,4-oxadiazole Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN=C(O1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCSC1=NN=C(O1)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H22N2OS/c1-3-4-5-6-7-12-20-16-18-17-15(19-16)14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3