2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-phenyl-1,3,4-oxadiazole Formula: C18H15ClN2O3S MolecularWeight: 374.8413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NN=C(O3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NN=C(O3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C18H15ClN2O3S/c19-14-9-12(10-15-16(14)23-8-4-7-22-15)11-25-18-21-20-17(24-18)13-5-2-1-3-6-13/h1-3,5-6,9-10H,4,7-8,11H2