3-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylcarbamoyl]-5-cyano-6-methylsulfanyl-pyridin-2-olate

Systemtic Name: 3-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylcarbamoyl]-5-cyano-6-methylsulfanyl-pyridin-2-olate Openeye Name: 3-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylcarbamoyl]-5-cyano-6-methylsulfanyl-pyridin-2-olate CAS Name: 3-[[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-oxomethyl]-5-cyano-6-(methylthio)-2-pyridinolate IUPAC Name: 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylcarbamoyl]-5-cyano-6-methylsulfanylpyridin-2-olate Traditional Name: 3-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylcarbamoyl]-5-cyano-6-(methylthio)pyridin-2-olate Formula: C22H26N3O2S- MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)C2=C(N=C(C(=C2)C#N)SC)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)C2=C(N=C(C(=C2)C#N)SC)[O-])C)C(C)(C)C

InChI

InChI=1S/C22H27N3O2S/c1-13-9-16(22(3,4)5)10-14(2)17(13)7-8-24-19(26)18-11-15(12-23)21(28-6)25-20(18)27/h9-11H,7-8H2,1-6H3,(H,24,26)(H,25,27)/p-1