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

Systemtic Name: 2-[(3-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-[(3-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(3-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-[(3-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-[(3-methylphenoxy)methyl]-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-12-3-2-4-15(9-12)23-10-16-18-19-17(24-16)25-11-13-5-7-14(8-6-13)20(21)22/h2-9H,10-11H2,1H3