3-fluoranyl-N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3-fluoranyl-N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-fluoro-N-[(4-isobutyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 3-fluoro-N-[[4-(2-methylpropyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-fluoro-N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3-fluoro-N-[[4-isobutyl-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCC2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCC2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H25FN4OS/c1-16(2)15-27-20(14-24-21(28)18-9-6-10-19(23)13-18)25-26-22(27)29-12-11-17-7-4-3-5-8-17/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,24,28)