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

Systemtic Name: N-[[5-butylsulfanyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[5-butylsulfanyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[5-(butylthio)-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[5-butylsulfanyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[5-(butylthio)-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C20H20ClFN4OS MolecularWeight: 418.915403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H20ClFN4OS/c1-2-3-11-28-20-25-24-18(26(20)15-8-6-7-14(21)12-15)13-23-19(27)16-9-4-5-10-17(16)22/h4-10,12H,2-3,11,13H2,1H3,(H,23,27)