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

Systemtic Name: 2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(3,5-difluoro-4-hydroxy-phenyl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 2-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-(3,5-difluoro-4-hydroxy-benzyl)-1H-1,2,4-triazole-3-thione Formula: C9H7F2N3OS MolecularWeight: 243.233186

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)O)F)CN2C(=S)N=CN2

Isomeric SMILES

C1=C(C=C(C(=C1F)O)F)CN2C(=S)N=CN2

InChI

InChI=1S/C9H7F2N3OS/c10-6-1-5(2-7(11)8(6)15)3-14-9(16)12-4-13-14/h1-2,4,15H,3H2,(H,12,13,16)