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

Systemtic Name: 2-(2-methylphenyl)-5-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-[(E)-3-(4-nitrophenyl)sulfonylallyl]sulfanyl-5-(o-tolyl)-1,3,4-oxadiazole CAS Name: 2-(2-methylphenyl)-5-[[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(2-methylphenyl)-5-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[[(E)-3-nosylallyl]thio]-5-(o-tolyl)-1,3,4-oxadiazole Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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