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

Systemtic Name: 5-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-(3-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-3-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-(3-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=CSC=C3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S2/c24-28(25,13-7-16-4-2-1-3-5-16)23-10-8-22(9-11-23)14-18-20-19(21-26-18)17-6-12-27-15-17/h1-7,12-13,15H,8-11,14H2/p+1/b13-7+