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

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-ethyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-ethyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-ethyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-ethyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-ethyl-5-(2-thienyl)-1,2,4-triazole Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=C(C(=C2)Cl)OCCCO3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=C(C(=C2)Cl)OCCCO3)C4=CC=CS4

InChI

InChI=1S/C18H18ClN3O2S2/c1-2-22-17(15-5-3-8-25-15)20-21-18(22)26-11-12-9-13(19)16-14(10-12)23-6-4-7-24-16/h3,5,8-10H,2,4,6-7,11H2,1H3