5-(furan-2-yl)-4-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-4-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-4-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-phenyl-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-4-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-4-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4OS/c30-24-27(18-26-15-13-20(14-16-26)19-8-3-1-4-9-19)25-23(22-12-7-17-29-22)28(24)21-10-5-2-6-11-21/h1-12,17,20H,13-16,18H2/p+1