2-(3,4-dimethylphenyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(3,4-dimethylphenyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(3,4-dimethylphenyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-oxadiazole CAS Name: 2-(3,4-dimethylphenyl)-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-oxadiazole IUPAC Name: 2-(3,4-dimethylphenyl)-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(3,4-dimethylphenyl)-5-[(4-mesyl-2-nitro-phenyl)thio]-1,3,4-oxadiazole Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O5S2/c1-10-4-5-12(8-11(10)2)16-18-19-17(25-16)26-15-7-6-13(27(3,23)24)9-14(15)20(21)22/h4-9H,1-3H3