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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-methyl-1,2,4-triazole Formula: C12H12ClN3O2S MolecularWeight: 297.76058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CN1C=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C12H12ClN3O2S/c1-16-6-14-15-12(16)19-5-9-3-10(13)2-8-4-17-7-18-11(8)9/h2-3,6H,4-5,7H2,1H3