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

Systemtic Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide Formula: C19H18BrFN4OS MolecularWeight: 449.339823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrFN4OS/c1-2-10-27-19-24-23-17(25(19)16-8-6-14(20)7-9-16)12-22-18(26)13-4-3-5-15(21)11-13/h3-9,11H,2,10,12H2,1H3,(H,22,26)