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

Systemtic Name: 2-(3,5-dimethylphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,5-dimethylphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,5-dimethylphenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,5-dimethylphenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,5-dimethylphenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-oxadiazole Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C18H17N3O4S/c1-11-6-12(2)8-13(7-11)17-19-20-18(25-17)26-10-14-9-15(21(22)23)4-5-16(14)24-3/h4-9H,10H2,1-3H3