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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-cyclopropyl-imidazole Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-cyclopropyl-imidazole CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-cyclopropylimidazole IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-cyclopropylimidazole Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-cyclopropyl-imidazole Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NC=CN3C4CC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NC=CN3C4CC4)Cl)OC1

InChI

InChI=1S/C16H17ClN2O2S/c17-13-8-11(9-14-15(13)21-7-1-6-20-14)10-22-16-18-4-5-19(16)12-2-3-12/h4-5,8-9,12H,1-3,6-7,10H2