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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole Openeye Name: 2-[(4-isopropylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(4-nitrophenyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole Traditional Name: 2-[(4-isopropylphenoxy)methyl]-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-13(2)15-5-9-17(10-6-15)25-11-18-20-21-19(26-18)27-12-14-3-7-16(8-4-14)22(23)24/h3-10,13H,11-12H2,1-2H3