2-(2-methylphenyl)-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(2-methylphenyl)-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-oxadiazole Openeye Name: 2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-5-(o-tolyl)-1,3,4-oxadiazole CAS Name: 2-(2-methylphenyl)-5-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(2-methylphenyl)-5-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-5-(o-tolyl)-1,3,4-oxadiazole Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S2/c1-14-7-3-4-8-16(14)19-21-22-20(29-19)30-18-10-9-15(13-17(18)24(25)26)31(27,28)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3