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

Systemtic Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-(3-pyridinyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/c25-18-23(20-17(24-18)15-5-4-8-19-13-15)14-21-9-11-22(12-10-21)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2/p+1