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

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide Formula: C18H16BrFN4OS MolecularWeight: 435.313243

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16BrFN4OS/c1-24-16(10-21-17(25)13-4-8-15(20)9-5-13)22-23-18(24)26-11-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,21,25)