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

Systemtic Name: 5-ethylsulfanyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,2,4-triazol-3-amine Openeye Name: 5-ethylsulfanyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,2,4-triazol-3-amine CAS Name: 5-(ethylthio)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,2,4-triazol-3-amine IUPAC Name: 5-ethylsulfanyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,2,4-triazol-3-amine Traditional Name: [5-(ethylthio)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,2,4-triazol-3-yl]amine Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)N

Isomeric SMILES

CCSC1=NN=C(N1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)N

InChI

InChI=1S/C13H15N5O4S/c1-2-23-13-16-15-12(14)17(13)5-8-3-10(18(19)20)4-9-6-21-7-22-11(8)9/h3-4H,2,5-7H2,1H3,(H2,14,15)