N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H26FN5OS MolecularWeight: 439.548843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)F

InChI

InChI=1S/C23H26FN5OS/c1-17-14-18(10-11-20(17)24)15-25-21(30)16-31-23-27-26-22(28-12-6-3-7-13-28)29(23)19-8-4-2-5-9-19/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3,(H,25,30)