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

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H25N5O5S/c1-22(2,3)16-4-6-18(7-5-16)31-11-19-24-25-21(26(19)23)33-12-15-9-17(27(28)29)8-14-10-30-13-32-20(14)15/h4-9H,10-13,23H2,1-3H3