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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)SCC=CS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)SC/C=C/S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S2/c1-13-4-2-5-14(12-13)17-19-20-18(26-17)27-10-3-11-28(24,25)16-8-6-15(7-9-16)21(22)23/h2-9,11-12H,10H2,1H3/b11-3+