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

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-methyl-1,3,4-thiadiazole IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-methyl-1,3,4-thiadiazole Formula: C12H11ClN2O2S2 MolecularWeight: 314.81094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=NN=C(S1)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C12H11ClN2O2S2/c1-7-14-15-12(19-7)18-5-9-3-10(13)2-8-4-16-6-17-11(8)9/h2-3H,4-6H2,1H3