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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-(3-pyridyl)-1,3,4-oxadiazole CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-(3-pyridyl)-1,3,4-oxadiazole Formula: C17H14ClN3O3S MolecularWeight: 375.82936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O3S/c18-13-7-11(8-14-15(13)23-6-2-5-22-14)10-25-17-21-20-16(24-17)12-3-1-4-19-9-12/h1,3-4,7-9H,2,5-6,10H2