3-(4-ethylphenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-ethylphenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-ethylphenyl)-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(4-ethylphenyl)-5-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-ethylphenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-ethylphenyl)-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H22N4O3S2/c1-2-15-5-7-16(8-6-15)19-20-17(26-21-19)14-22-9-11-23(12-10-22)28(24,25)18-4-3-13-27-18/h3-8,13H,2,9-12,14H2,1H3/p+1