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

Systemtic Name: 4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C21H24N4O2S/c1-5-25(6-2)21(27)16-7-9-17(10-8-16)24-19(26)13-28-20-18(12-22)14(3)11-15(4)23-20/h7-11H,5-6,13H2,1-4H3,(H,24,26)