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

Systemtic Name: N-[[4-(4-bromophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloranyl-6-fluoranyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluoro-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluorobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluorobenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluoro-benzamide Formula: C24H17BrClFN4O2S MolecularWeight: 559.837783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)CNC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)CNC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C24H17BrClFN4O2S/c25-16-9-11-17(12-10-16)31-21(13-28-23(33)22-18(26)7-4-8-19(22)27)29-30-24(31)34-14-20(32)15-5-2-1-3-6-15/h1-12H,13-14H2,(H,28,33)