3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-methyl-1H-1,2,4-triazole Formula: C12H12ClN3O2S MolecularWeight: 297.76058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C12H12ClN3O2S/c1-7-14-12(16-15-7)19-6-8-4-9(13)11-10(5-8)17-2-3-18-11/h4-5H,2-3,6H2,1H3,(H,14,15,16)