4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3,5-difluoro-4-hydroxy-phenyl)methyl]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3,5-difluoro-4-hydroxyphenyl)methyl]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3,5-difluoro-4-hydroxyphenyl)methyl]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,5-difluoro-4-hydroxy-benzyl)-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C15H11F2N3OS MolecularWeight: 319.329146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC(=C(C(=C3)F)O)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC(=C(C(=C3)F)O)F

InChI

InChI=1S/C15H11F2N3OS/c16-11-6-9(7-12(17)13(11)21)8-20-14(18-19-15(20)22)10-4-2-1-3-5-10/h1-7,21H,8H2,(H,19,22)