3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(3-pyridinyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C21H26N5O3S2+ MolecularWeight: 460.59284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C21H25N5O3S2/c1-16(2)17-5-7-19(8-6-17)31(27,28)25-12-10-24(11-13-25)15-26-21(30)29-20(23-26)18-4-3-9-22-14-18/h3-9,14,16H,10-13,15H2,1-2H3/p+1