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

Systemtic Name: 5-cyclopropyl-3-[(5-fluoranyl-2-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[(5-fluoro-2-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(5-fluoro-2-methoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(5-fluoro-2-methoxy-benzyl)thio]-1H-1,2,4-triazole Formula: C13H14FN3OS MolecularWeight: 279.333163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CSC2=NNC(=N2)C3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)F)CSC2=NNC(=N2)C3CC3

InChI

InChI=1S/C13H14FN3OS/c1-18-11-5-4-10(14)6-9(11)7-19-13-15-12(16-17-13)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16,17)