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

Systemtic Name: 2-(4-methylphenyl)-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-(4-methylphenyl)-5-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(4-methylphenyl)-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thio]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C20H22N5O5S2+ MolecularWeight: 476.54918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S2/c1-14-3-5-15(6-4-14)19-21-22-20(30-19)31-18-8-7-16(13-17(18)25(26)27)32(28,29)24-11-9-23(2)10-12-24/h3-8,13H,9-12H2,1-2H3/p+1