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

Systemtic Name: 5-(3-chlorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-chlorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3-chlorophenyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-chlorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-chlorophenyl)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C17H18ClN6OS+ MolecularWeight: 389.88242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN6OS/c18-14-4-1-3-13(11-14)15-21-24(17(26)25-15)12-22-7-9-23(10-8-22)16-19-5-2-6-20-16/h1-6,11H,7-10,12H2/p+1