2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[(4-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide Formula: C21H21BrFN3OS MolecularWeight: 462.378343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C2=CC=C(C=C2)F)C3=NC=CN3C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C2=CC=C(C=C2)F)C3=NC=CN3C

InChI

InChI=1S/C21H21BrFN3OS/c1-13-11-18(14(2)10-17(13)22)28-12-19(27)25-20(21-24-8-9-26(21)3)15-4-6-16(23)7-5-15/h4-11,20H,12H2,1-3H3,(H,25,27)