N-(4-fluorophenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[[6-methyl-2-(phenacylthio)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-[[6-methyl-2-(phenacylthio)pyrimidin-4-yl]thio]acetamide Formula: C21H18FN3O2S2 MolecularWeight: 427.514923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O2S2/c1-14-11-20(28-13-19(27)24-17-9-7-16(22)8-10-17)25-21(23-14)29-12-18(26)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,24,27)