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

Systemtic Name: 2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-5-(4-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-(4-nitrophenyl)-5-[(E)-3-(p-tolylsulfonyl)allyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-[[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]thio]-5-(4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-5-(4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-(4-nitrophenyl)-5-[[(E)-3-tosylallyl]thio]-1,3,4-oxadiazole Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C/CSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S2/c1-13-3-9-16(10-4-13)28(24,25)12-2-11-27-18-20-19-17(26-18)14-5-7-15(8-6-14)21(22)23/h2-10,12H,11H2,1H3/b12-2+