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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C11H11N5O4S MolecularWeight: 309.30114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NNC(=N3)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NNC(=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O4S/c12-10-13-11(15-14-10)21-4-7-2-8(16(17)18)1-6-3-19-5-20-9(6)7/h1-2H,3-5H2,(H3,12,13,14,15)