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

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-allyl-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[4-allyl-5-[(4-bromobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C20H18BrFN4OS MolecularWeight: 461.350523

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H18BrFN4OS/c1-2-11-26-18(12-23-19(27)16-5-3-4-6-17(16)22)24-25-20(26)28-13-14-7-9-15(21)10-8-14/h2-10H,1,11-13H2,(H,23,27)