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

Systemtic Name: 4,5-bis(4-fluorophenyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-bis(4-fluorophenyl)-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-bis(4-fluorophenyl)-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-bis(4-fluorophenyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-bis(4-fluorophenyl)-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C24H21F2N5S MolecularWeight: 449.518846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C5=CN=CC=C5

Isomeric SMILES

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C5=CN=CC=C5

InChI

InChI=1S/C24H21F2N5S/c25-19-7-5-17(6-8-19)23-28-30(24(32)31(23)21-11-9-20(26)10-12-21)16-29-14-2-4-22(29)18-3-1-13-27-15-18/h1,3,5-13,15,22H,2,4,14,16H2