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

Systemtic Name: 5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-cyclohexyl-1,2,3,4-tetrazole Openeye Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-cyclohexyl-tetrazole CAS Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-cyclohexyltetrazole IUPAC Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-cyclohexyltetrazole Traditional Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-cyclohexyl-tetrazole Formula: C17H21ClN4O2S MolecularWeight: 380.89224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C17H21ClN4O2S/c18-14-9-12(10-15-16(14)24-8-4-7-23-15)11-25-17-19-20-21-22(17)13-5-2-1-3-6-13/h9-10,13H,1-8,11H2