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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C11H11ClN4O2S MolecularWeight: 298.74864

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=CN3N)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=CN3N)Cl

InChI

InChI=1S/C11H11ClN4O2S/c12-9-1-7-3-17-6-18-10(7)8(2-9)4-19-11-15-14-5-16(11)13/h1-2,5H,3-4,6,13H2