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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-dimethyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-dimethyl-1,2,4-triazole Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=NN=C(N1C)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C13H14ClN3O2S/c1-8-15-16-13(17(8)2)20-6-10-4-11(14)3-9-5-18-7-19-12(9)10/h3-4H,5-7H2,1-2H3