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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C13H13BrFN5OS MolecularWeight: 386.242623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C13H13BrFN5OS/c14-8-3-4-10(9(15)5-8)17-11(21)6-22-13-19-18-12(20(13)16)7-1-2-7/h3-5,7H,1-2,6,16H2,(H,17,21)