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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC=C3Cl)F

InChI

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