N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(mesitylthio)acetamide Formula: C20H21FN2OS MolecularWeight: 356.456943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)N(CCC#N)C2=CC=CC=C2F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)N(CCC#N)C2=CC=CC=C2F)C

InChI

InChI=1S/C20H21FN2OS/c1-14-11-15(2)20(16(3)12-14)25-13-19(24)23(10-6-9-22)18-8-5-4-7-17(18)21/h4-5,7-8,11-12H,6,10,13H2,1-3H3