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

Systemtic Name: 3,4-dicyclopropyl-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3,4-dicyclopropyl-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3,4-dicyclopropyl-5-[(3-fluoro-4-methoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3,4-dicyclopropyl-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3,4-dicyclopropyl-5-[(3-fluoro-4-methoxy-benzyl)thio]-1,2,4-triazole Formula: C16H18FN3OS MolecularWeight: 319.397023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CC3)C4CC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CC3)C4CC4)F

InChI

InChI=1S/C16H18FN3OS/c1-21-14-7-2-10(8-13(14)17)9-22-16-19-18-15(11-3-4-11)20(16)12-5-6-12/h2,7-8,11-12H,3-6,9H2,1H3