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

Systemtic Name: N-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloranyl-6-fluoranyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluoro-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluorobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluorobenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluoro-benzamide Formula: C18H15BrClFN4OS MolecularWeight: 469.758303

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H15BrClFN4OS/c1-2-27-18-24-23-15(25(18)12-8-6-11(19)7-9-12)10-22-17(26)16-13(20)4-3-5-14(16)21/h3-9H,2,10H2,1H3,(H,22,26)