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

Systemtic Name: 3-fluoranyl-N-[[4-(3-methylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-fluoro-N-[[4-(m-tolyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-fluoro-N-[[4-(3-methylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-fluoro-N-[[4-(3-methylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3-fluoro-N-[[4-(m-tolyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H21FN4OS/c1-3-10-27-20-24-23-18(25(20)17-9-4-6-14(2)11-17)13-22-19(26)15-7-5-8-16(21)12-15/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,26)