3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole

Systemtic Name: 3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-5-(3-thienyl)-1,2,4-oxadiazole CAS Name: 3-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]-5-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 3-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]-5-(3-thienyl)-1,2,4-oxadiazole Formula: C17H20N5O3S3+ MolecularWeight: 438.5674

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NOC(=N3)C4=CSC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NOC(=N3)C4=CSC=C4

InChI

InChI=1S/C17H19N5O3S3/c1-21-5-7-22(8-6-21)28(23,24)14-2-3-16(18-10-14)27-12-15-19-17(25-20-15)13-4-9-26-11-13/h2-4,9-11H,5-8,12H2,1H3/p+1