3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C11H11FN4O2S MolecularWeight: 282.294043

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NNC(=N3)N)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NNC(=N3)N)F

InChI

InChI=1S/C11H11FN4O2S/c12-8-1-6-3-17-5-18-9(6)7(2-8)4-19-11-14-10(13)15-16-11/h1-2H,3-5H2,(H3,13,14,15,16)