5-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C19H21N4O3S2+ MolecularWeight: 417.52504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3S2/c24-28(25,14-8-16-5-2-1-3-6-16)23-11-9-22(10-12-23)15-18-20-19(21-26-18)17-7-4-13-27-17/h1-8,13-14H,9-12,15H2/p+1/b14-8+