N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C19H16BrFN4OS MolecularWeight: 447.323943

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=CC=C3

InChI

InChI=1S/C19H16BrFN4OS/c1-2-10-25-18(13-6-4-3-5-7-13)23-24-19(25)27-12-17(26)22-16-9-8-14(20)11-15(16)21/h2-9,11H,1,10,12H2,(H,22,26)