N-(2-cyanoethyl)-N-phenyl-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-(2,3,5,6-tetramethylphenyl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(2,3,5,6-tetramethylphenyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[(2,3,5,6-tetramethylphenyl)thio]acetamide Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)N(CCC#N)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)N(CCC#N)C2=CC=CC=C2)C)C

InChI

InChI=1S/C21H24N2OS/c1-15-13-16(2)18(4)21(17(15)3)25-14-20(24)23(12-8-11-22)19-9-6-5-7-10-19/h5-7,9-10,13H,8,12,14H2,1-4H3