3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-chloro-6-fluoro-benzyl)-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H13ClFN3OS MolecularWeight: 349.810323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NNC2=S)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NNC2=S)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H13ClFN3OS/c1-22-11-5-2-4-10(8-11)21-15(19-20-16(21)23)9-12-13(17)6-3-7-14(12)18/h2-8H,9H2,1H3,(H,20,23)