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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(4-nitrophenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-nitrobenzyl)thio]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c1-24-14-8-12(9-15(25-2)16(14)26-3)17-19-20-18(27-17)28-10-11-4-6-13(7-5-11)21(22)23/h4-9H,10H2,1-3H3