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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-4-(2-fluorophenyl)-1,2,4-triazole Formula: C16H13F2N3OS MolecularWeight: 333.355726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=CN2C3=CC=CC=C3F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=CN2C3=CC=CC=C3F)F

InChI

InChI=1S/C16H13F2N3OS/c1-22-15-7-6-11(8-13(15)18)9-23-16-20-19-10-21(16)14-5-3-2-4-12(14)17/h2-8,10H,9H2,1H3