N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]acetamide Formula: C18H17BrFN5OS MolecularWeight: 450.327883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H17BrFN5OS/c1-3-25-9-13(11(2)24-25)15-6-7-21-18(23-15)27-10-17(26)22-16-5-4-12(19)8-14(16)20/h4-9H,3,10H2,1-2H3,(H,22,26)