3-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

InChI

InChI=1S/C22H26N4O2S/c1-6-26(7-2)22(28)17-9-8-10-18(11-17)25-20(27)13-29-21-19(12-23)15(4)14(3)16(5)24-21/h8-11H,6-7,13H2,1-5H3,(H,25,27)