N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide Formula: C20H17BrFN3OS MolecularWeight: 446.335883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C20H17BrFN3OS/c1-12-9-13(2)24-20(23-12)27-11-14-5-3-4-6-16(14)19(26)25-18-8-7-15(21)10-17(18)22/h3-10H,11H2,1-2H3,(H,25,26)