2-[2-(4-fluorophenyl)-1-oxidanyl-3-phenyl-but-3-enyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[2-(4-fluorophenyl)-1-oxidanyl-3-phenyl-but-3-enyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[2-(4-fluorophenyl)-1-hydroxy-3-phenyl-but-3-enyl]-1H-1,2,4-triazole-3-thione CAS Name: 2-[2-(4-fluorophenyl)-1-hydroxy-3-phenylbut-3-enyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[2-(4-fluorophenyl)-1-hydroxy-3-phenylbut-3-enyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[2-(4-fluorophenyl)-1-hydroxy-3-phenyl-but-3-enyl]-1H-1,2,4-triazole-3-thione Formula: C18H16FN3OS MolecularWeight: 341.402543

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1)C(C2=CC=C(C=C2)F)C(N3C(=S)N=CN3)O

Isomeric SMILES

C=C(C1=CC=CC=C1)C(C2=CC=C(C=C2)F)C(N3C(=S)N=CN3)O

InChI

InChI=1S/C18H16FN3OS/c1-12(13-5-3-2-4-6-13)16(14-7-9-15(19)10-8-14)17(23)22-18(24)20-11-21-22/h2-11,16-17,23H,1H2,(H,20,21,24)