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

Systemtic Name: 2-(3,5-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,5-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,5-dimethylphenyl)-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,5-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,5-dimethylphenyl)-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-11-7-12(2)9-14(8-11)16-18-19-17(23-16)24-10-13-3-5-15(6-4-13)20(21)22/h3-9H,10H2,1-2H3