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

Systemtic Name: 5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-propan-2-yl-1,2,3,4-tetrazole Openeye Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-isopropyl-tetrazole CAS Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-propan-2-yltetrazole IUPAC Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-propan-2-yltetrazole Traditional Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-isopropyl-tetrazole Formula: C14H17ClN4O2S MolecularWeight: 340.82838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C14H17ClN4O2S/c1-9(2)19-14(16-17-18-19)22-8-10-6-11(15)13-12(7-10)20-4-3-5-21-13/h6-7,9H,3-5,8H2,1-2H3