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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1,3,4-oxadiazole Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S/c21-20(22)14-6-12-8-23-10-24-15(12)13(7-14)9-26-17-19-18-16(25-17)11-4-2-1-3-5-11/h1-7H,8-10H2