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

Systemtic Name: 5-cyclopropyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(3-fluoro-4-methoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(3-fluoro-4-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)CSC2=NNC(=N2)C3CC3)F

Isomeric SMILES

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

InChI

InChI=1S/C13H14FN3OS/c1-18-11-5-2-8(6-10(11)14)7-19-13-15-12(16-17-13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,15,16,17)