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

Systemtic Name: 5-(3-chlorophenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-chlorophenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3-chlorophenyl)-3-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-chlorophenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-chlorophenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C18H20ClN5OS+2 MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5OS/c19-15-3-1-2-14(12-15)17-21-24(18(26)25-17)13-22-8-10-23(11-9-22)16-4-6-20-7-5-16/h1-7,12H,8-11,13H2/p+2