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

Systemtic Name: 3-butyl-5-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-butyl-5-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-butyl-5-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-butyl-5-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-butyl-5-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]-1,2,4-oxadiazole Formula: C17H26N5O3S2+ MolecularWeight: 412.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCCC1=NOC(=N1)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H25N5O3S2/c1-3-4-5-15-19-16(25-20-15)13-26-17-7-6-14(12-18-17)27(23,24)22-10-8-21(2)9-11-22/h6-7,12H,3-5,8-11,13H2,1-2H3/p+1