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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C14H12FN3OS2 MolecularWeight: 321.392983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NNC(=N2)C3=CC=CS3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NNC(=N2)C3=CC=CS3)F

InChI

InChI=1S/C14H12FN3OS2/c1-19-11-5-4-9(7-10(11)15)8-21-14-16-13(17-18-14)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,17,18)