4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1,2,4-triazole Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4O4S/c1-2-22-18(13-6-4-3-5-7-13)20-21-19(22)28-11-15-9-16(23(24)25)8-14-10-26-12-27-17(14)15/h3-9H,2,10-12H2,1H3