2-(2-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(2-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(2-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-(2-methoxyphenyl)-5-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(2-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(2-methoxyphenyl)-5-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-oxadiazole Formula: C20H21N5O6S2 MolecularWeight: 491.54064

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CC=C4OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CC=C4OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S2/c1-23-9-11-24(12-10-23)33(28,29)14-7-8-18(16(13-14)25(26)27)32-20-22-21-19(31-20)15-5-3-4-6-17(15)30-2/h3-8,13H,9-12H2,1-2H3