2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(methylthio)-1,3,4-thiadiazole IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(methylthio)-1,3,4-thiadiazole Formula: C12H11ClN2O2S3 MolecularWeight: 346.87594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CSC1=NN=C(S1)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C12H11ClN2O2S3/c1-18-11-14-15-12(20-11)19-5-8-3-9(13)2-7-4-16-6-17-10(7)8/h2-3H,4-6H2,1H3