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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[(5-fluoranyl-2-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(5-fluoro-2-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[(5-fluoro-2-methoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(5-fluoro-2-methoxy-benzyl)thio]-1H-1,2,4-triazole Formula: C17H15ClFN3O2S MolecularWeight: 379.836303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)F)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C17H15ClFN3O2S/c1-23-14-6-4-12(19)7-10(14)9-25-17-20-16(21-22-17)13-8-11(18)3-5-15(13)24-2/h3-8H,9H2,1-2H3,(H,20,21,22)