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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=CN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=CN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c22-21(23)15-6-12-8-24-11-25-16(12)13(7-15)9-26-17-19-18-10-20(17)14-4-2-1-3-5-14/h1-7,10H,8-9,11H2