3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-(3-pyridinyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C20H25N5OS+2 MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C20H23N5OS/c1-16-5-2-3-6-18(16)14-23-9-11-24(12-10-23)15-25-20(27)26-19(22-25)17-7-4-8-21-13-17/h2-8,13H,9-12,14-15H2,1H3/p+2