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

Systemtic Name: 5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-methyl-1,2,3,4-tetrazole Openeye Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-methyl-tetrazole CAS Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-methyltetrazole IUPAC Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-methyltetrazole Traditional Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-methyl-tetrazole Formula: C12H13ClN4O2S MolecularWeight: 312.77522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C12H13ClN4O2S/c1-17-12(14-15-16-17)20-7-8-5-9(13)11-10(6-8)18-3-2-4-19-11/h5-6H,2-4,7H2,1H3