4,5-bis(4-fluorophenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-bis(4-fluorophenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-bis(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-bis(4-fluorophenyl)-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-bis(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-bis(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C20H21F2N4OS+ MolecularWeight: 403.468746

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20F2N4OS/c21-15-3-1-14(2-4-15)19-23-25(13-24-11-9-18(27)10-12-24)20(28)26(19)17-7-5-16(22)6-8-17/h1-8,18,27H,9-13H2/p+1