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

Systemtic Name: 5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-cyclopentyl-1,2,3,4-tetrazole Openeye Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-cyclopentyl-tetrazole CAS Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-cyclopentyltetrazole IUPAC Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-cyclopentyltetrazole Traditional Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-cyclopentyl-tetrazole Formula: C16H19ClN4O2S MolecularWeight: 366.86566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=N2)SCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCC(C1)N2C(=NN=N2)SCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C16H19ClN4O2S/c17-13-8-11(9-14-15(13)23-7-3-6-22-14)10-24-16-18-19-20-21(16)12-4-1-2-5-12/h8-9,12H,1-7,10H2