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

Systemtic Name: 3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-pyridyl)-3-[[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-5-(3-pyridinyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-pyridyl)-3-[[4-(4-sec-butylphenyl)sulfonylpiperazino]methyl]-1,3,4-oxadiazole-2-thione Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)OC(=N3)C4=CN=CC=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)OC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5O3S2/c1-3-17(2)18-6-8-20(9-7-18)32(28,29)26-13-11-25(12-14-26)16-27-22(31)30-21(24-27)19-5-4-10-23-15-19/h4-10,15,17H,3,11-14,16H2,1-2H3