1-[[5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine

Systemtic Name: 1-[[5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Openeye Name: 1-[[5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine CAS Name: 1-[[5-[(3-fluoro-4-methoxyphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine IUPAC Name: 1-[[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Traditional Name: 1-[[5-[(3-fluoro-4-methoxy-benzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4)F

InChI

InChI=1S/C22H25FN4OS/c1-28-20-11-10-17(14-19(20)23)16-29-22-25-24-21(15-26-12-6-3-7-13-26)27(22)18-8-4-2-5-9-18/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3