6-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-methylpropyl)pyridine-3-carboxamide

Systemtic Name: 6-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-methylpropyl)pyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-4-isobutyl-2-methyl-pyridine-3-carboxamide CAS Name: 5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-2-methyl-4-(2-methylpropyl)-3-pyridinecarboxamide IUPAC Name: 5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-4-(2-methylpropyl)pyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-4-isobutyl-2-methyl-nicotinamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)C2=CC(=C(C=C2)O)O)C#N)CC(C)C)C(=O)N

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)C2=CC(=C(C=C2)O)O)C#N)CC(C)C)C(=O)N

InChI

InChI=1S/C20H21N3O4S/c1-10(2)6-13-14(8-21)20(23-11(3)18(13)19(22)27)28-9-17(26)12-4-5-15(24)16(25)7-12/h4-5,7,10,24-25H,6,9H2,1-3H3,(H2,22,27)