2-(1,3-benzodioxol-5-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-oxadiazole Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13N3O6S/c1-23-13-5-3-12(20(21)22)6-11(13)8-27-17-19-18-16(26-17)10-2-4-14-15(7-10)25-9-24-14/h2-7H,8-9H2,1H3