2-(cyanomethylsulfanyl)-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[(3-fluoro-4-methyl-phenyl)methyl]acetamide CAS Name: 2-(cyanomethylthio)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide Traditional Name: 2-(cyanomethylthio)-N-(3-fluoro-4-methyl-benzyl)acetamide Formula: C12H13FN2OS MolecularWeight: 252.307823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CSCC#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CSCC#N)F

InChI

InChI=1S/C12H13FN2OS/c1-9-2-3-10(6-11(9)13)7-15-12(16)8-17-5-4-14/h2-3,6H,5,7-8H2,1H3,(H,15,16)