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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-methyl-1H-1,2,4-triazole Formula: C12H12ClN3O2S MolecularWeight: 297.76058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=NC(=NN1)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

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