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

Systemtic Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloranyl-6-fluoranyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluoro-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluorobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluorobenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluoro-benzamide Formula: C19H17BrClFN4OS MolecularWeight: 483.784883

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H17BrClFN4OS/c1-2-10-28-19-25-24-16(26(19)13-8-6-12(20)7-9-13)11-23-18(27)17-14(21)4-3-5-15(17)22/h3-9H,2,10-11H2,1H3,(H,23,27)