5-(1-benzofuran-2-yl)-4-(phenylmethyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(1-benzofuran-2-yl)-4-(phenylmethyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(benzofuran-2-yl)-4-benzyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-benzofuranyl)-4-(phenylmethyl)-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(1-benzofuran-2-yl)-4-benzyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(benzofuran-2-yl)-4-benzyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N4OS/c29-23-26(16-18-9-3-1-4-10-18)22(21-15-19-11-5-6-12-20(19)28-21)24-27(23)17-25-13-7-2-8-14-25/h1,3-6,9-12,15H,2,7-8,13-14,16-17H2/p+1