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

Systemtic Name: 2-(2-methylphenyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-(o-tolyl)-1,3,4-oxadiazole CAS Name: 2-(2-methylphenyl)-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-oxadiazole IUPAC Name: 2-(2-methylphenyl)-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-5-(o-tolyl)-1,3,4-oxadiazole Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c1-10-5-3-4-6-12(10)15-17-18-16(24-15)25-14-8-7-11(26(2,22)23)9-13(14)19(20)21/h3-9H,1-2H3