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

Systemtic Name: 2-cyclopropyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-oxadiazole Openeye Name: 2-cyclopropyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-oxadiazole CAS Name: 2-cyclopropyl-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-oxadiazole IUPAC Name: 2-cyclopropyl-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-oxadiazole Traditional Name: 2-cyclopropyl-5-[(4-mesyl-2-nitro-phenyl)thio]-1,3,4-oxadiazole Formula: C12H11N3O5S2 MolecularWeight: 341.36284

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5S2/c1-22(18,19)8-4-5-10(9(6-8)15(16)17)21-12-14-13-11(20-12)7-2-3-7/h4-7H,2-3H2,1H3