2-(3,4-dimethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,4-dimethoxyphenyl)-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N3O5S/c1-23-14-8-5-12(9-15(14)24-2)16-18-19-17(25-16)26-10-11-3-6-13(7-4-11)20(21)22/h3-9H,10H2,1-2H3