N-(4-fluorophenyl)-2-[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: N-(4-fluorophenyl)-2-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]thio]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C20H18FN3OS2 MolecularWeight: 399.504823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3OS2/c1-14-11-19(24-20(22-14)27-12-15-5-3-2-4-6-15)26-13-18(25)23-17-9-7-16(21)8-10-17/h2-11H,12-13H2,1H3,(H,23,25)