4-tert-butyl-N-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]benzamide CAS Name: 4-tert-butyl-N-[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetyl]benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-13-14(2)18(11-23)21(24-15(13)3)28-12-19(26)25-20(27)16-7-9-17(10-8-16)22(4,5)6/h7-10H,12H2,1-6H3,(H,25,26,27)