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

Systemtic Name: 4-[[3,5-bis(fluoranyl)-4-methoxy-phenyl]methyl]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3,5-difluoro-4-methoxy-phenyl)methyl]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,5-difluoro-4-methoxy-benzyl)-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H13F2N3OS MolecularWeight: 333.355726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1F)CN2C(=NNC2=S)C3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1F)CN2C(=NNC2=S)C3=CC=CC=C3)F

InChI

InChI=1S/C16H13F2N3OS/c1-22-14-12(17)7-10(8-13(14)18)9-21-15(19-20-16(21)23)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,20,23)