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

Systemtic Name: 5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-N-methyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]-methyl-amine Formula: C12H12ClN3O2S2 MolecularWeight: 329.82558

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CNC1=NN=C(S1)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C12H12ClN3O2S2/c1-14-11-15-16-12(20-11)19-5-8-3-9(13)2-7-4-17-6-18-10(7)8/h2-3H,4-6H2,1H3,(H,14,15)