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

Systemtic Name: 5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-1,2,4-triazole Formula: C11H10ClN3O2S MolecularWeight: 283.734

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC=NN3)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC=NN3)Cl

InChI

InChI=1S/C11H10ClN3O2S/c12-9-1-7-3-16-6-17-10(7)8(2-9)4-18-11-13-5-14-15-11/h1-2,5H,3-4,6H2,(H,13,14,15)