2-(4-tert-butylphenyl)-5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(4-tert-butylphenyl)-5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(4-tert-butylphenyl)-5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(4-tert-butylphenyl)-5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(4-tert-butylphenyl)-5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(4-tert-butylphenyl)-5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-oxadiazole Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H21ClN2O3S/c1-21(2,3)16-6-4-13(5-7-16)19-23-24-20(27-19)28-11-15-9-17(22)8-14-10-25-12-26-18(14)15/h4-9H,10-12H2,1-3H3