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

Systemtic Name: 2-(4-tert-butylphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(4-tert-butylphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(4-tert-butylphenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(4-tert-butylphenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(4-tert-butylphenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-oxadiazole Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-20(2,3)15-7-5-13(6-8-15)18-21-22-19(27-18)28-12-14-11-16(23(24)25)9-10-17(14)26-4/h5-11H,12H2,1-4H3