N-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(4-hydroxy-3,5-dimethyl-phenyl)-2-(4-quinolylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(4-hydroxy-3,5-dimethylphenyl)-2-(4-quinolinylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-hydroxy-3,5-dimethyl-phenyl)-2-(4-quinolylmethylthio)nicotinamide Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CC1=CC(=CC(=C1O)C)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C24H21N3O2S/c1-15-12-18(13-16(2)22(15)28)27-23(29)20-7-5-10-26-24(20)30-14-17-9-11-25-21-8-4-3-6-19(17)21/h3-13,28H,14H2,1-2H3,(H,27,29)