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

Systemtic Name: 5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-methyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-methyl-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]-methyl-amine Formula: C13H14ClN3O2S2 MolecularWeight: 343.85216

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CNC1=NN=C(S1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C13H14ClN3O2S2/c1-15-12-16-17-13(21-12)20-7-8-5-9(14)11-10(6-8)18-3-2-4-19-11/h5-6H,2-4,7H2,1H3,(H,15,16)