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

Systemtic Name: 2-(3,5-dimethylphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,5-dimethylphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,5-dimethylphenyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,5-dimethylphenyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,5-dimethylphenyl)-5-[(2-methyl-3-nitro-benzyl)thio]-1,3,4-oxadiazole Formula: C18H17N3O3S MolecularWeight: 355.41088

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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-])C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-11-7-12(2)9-15(8-11)17-19-20-18(24-17)25-10-14-5-4-6-16(13(14)3)21(22)23/h4-9H,10H2,1-3H3