N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloranyl-6-fluoranyl-benzamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloranyl-6-fluoranyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluoro-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(butylthio)-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluorobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluorobenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(butylthio)-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluoro-benzamide Formula: C20H19BrClFN4OS MolecularWeight: 497.811463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H19BrClFN4OS/c1-2-3-11-29-20-26-25-17(27(20)14-9-7-13(21)8-10-14)12-24-19(28)18-15(22)5-4-6-16(18)23/h4-10H,2-3,11-12H2,1H3,(H,24,28)