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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C16H14FN3OS MolecularWeight: 315.365263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN3OS/c1-21-14-8-7-11(9-13(14)17)10-22-16-18-15(19-20-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19,20)