5-pyridin-3-yl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-pyridin-3-yl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-pyridyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3-pyridinyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-pyridin-3-yl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-pyridyl)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C16H18N7OS+ MolecularWeight: 356.42542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CN=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CN=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C16H17N7OS/c25-16-23(20-14(24-16)13-3-1-4-17-11-13)12-21-7-9-22(10-8-21)15-18-5-2-6-19-15/h1-6,11H,7-10,12H2/p+1