2-[[2-(4-fluorophenyl)-3-pyridin-4-yl-oxiran-2-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[2-(4-fluorophenyl)-3-pyridin-4-yl-oxiran-2-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[2-(4-fluorophenyl)-3-(4-pyridyl)oxiran-2-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 2-[[2-(4-fluorophenyl)-3-pyridin-4-yl-2-oxiranyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-(4-fluorophenyl)-3-pyridin-4-yloxiran-2-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[2-(4-fluorophenyl)-3-(4-pyridyl)oxiran-2-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C16H13FN4OS MolecularWeight: 328.364023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2(C(O2)C3=CC=NC=C3)CN4C(=S)N=CN4)F

Isomeric SMILES

C1=CC(=CC=C1C2(C(O2)C3=CC=NC=C3)CN4C(=S)N=CN4)F

InChI

InChI=1S/C16H13FN4OS/c17-13-3-1-12(2-4-13)16(9-21-15(23)19-10-20-21)14(22-16)11-5-7-18-8-6-11/h1-8,10,14H,9H2,(H,19,20,23)