3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-ethyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-ethyl-5-phenyl-1,2,4-triazole Formula: C20H20ClN3O2S MolecularWeight: 401.9097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=C(C(=C2)Cl)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=C(C(=C2)Cl)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN3O2S/c1-2-24-19(15-7-4-3-5-8-15)22-23-20(24)27-13-14-11-16(21)18-17(12-14)25-9-6-10-26-18/h3-5,7-8,11-12H,2,6,9-10,13H2,1H3