N-(4-butylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[(3S)-3,5-dicyano-2-keto-4,4-dimethyl-1,3-dihydropyridin-6-yl]thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C#N)(C)C)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C([C@H](C(=O)N2)C#N)(C)C)C#N

InChI

InChI=1S/C21H24N4O2S/c1-4-5-6-14-7-9-15(10-8-14)24-18(26)13-28-20-17(12-23)21(2,3)16(11-22)19(27)25-20/h7-10,16H,4-6,13H2,1-3H3,(H,24,26)(H,25,27)/t16-/m0/s1