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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C14H14BrFN4OS MolecularWeight: 385.254563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H14BrFN4OS/c1-3-6-20-9(2)18-19-14(20)22-8-13(21)17-12-5-4-10(15)7-11(12)16/h3-5,7H,1,6,8H2,2H3,(H,17,21)