2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-5-nitro-1,3,4-oxadiazole

Systemtic Name: 2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-5-nitro-1,3,4-oxadiazole Openeye Name: 2-nitro-5-[(E)-3-(p-tolylsulfonyl)allyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-[[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]thio]-5-nitro-1,3,4-oxadiazole IUPAC Name: 2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-5-nitro-1,3,4-oxadiazole Traditional Name: 2-nitro-5-[[(E)-3-tosylallyl]thio]-1,3,4-oxadiazole Formula: C12H11N3O5S2 MolecularWeight: 341.36284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=CCSC2=NN=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C/CSC2=NN=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5S2/c1-9-3-5-10(6-4-9)22(18,19)8-2-7-21-12-14-13-11(20-12)15(16)17/h2-6,8H,7H2,1H3/b8-2+