5-[(1S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

Systemtic Name: 5-[(1S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole Openeye Name: 5-[(1S)-1-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]ethyl]-3-(3-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[(1S)-1-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]ethyl]-3-(3-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[(1S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole Traditional Name: 5-[(1S)-1-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]ethyl]-3-(3-pyridyl)-1,2,4-oxadiazole Formula: C19H23N6O3S2+ MolecularWeight: 447.55432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CN=CC=C2)SC3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

C[C@@H](C1=NC(=NO1)C2=CN=CC=C2)SC3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C19H22N6O3S2/c1-14(19-22-18(23-28-19)15-4-3-7-20-12-15)29-17-6-5-16(13-21-17)30(26,27)25-10-8-24(2)9-11-25/h3-7,12-14H,8-11H2,1-2H3/p+1/t14-/m0/s1