N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4,6-difluoro-phenyl)acetamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4,6-difluoro-phenyl)acetamide Formula: C23H23BrF2N4OS MolecularWeight: 521.420726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3Br)F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3Br)F)F

InChI

InChI=1S/C23H23BrF2N4OS/c1-5-10-30-21(14-6-8-15(9-7-14)23(2,3)4)28-29-22(30)32-13-19(31)27-20-17(24)11-16(25)12-18(20)26/h5-9,11-12H,1,10,13H2,2-4H3,(H,27,31)