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

Systemtic Name: 5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-ethyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]-ethyl-amine Formula: C14H16ClN3O2S2 MolecularWeight: 357.87874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C14H16ClN3O2S2/c1-2-16-13-17-18-14(22-13)21-8-9-6-10(15)12-11(7-9)19-4-3-5-20-12/h6-7H,2-5,8H2,1H3,(H,16,17)