N-(3-methyl-4-propan-2-yl-phenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(3-methyl-4-propan-2-yl-phenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(4-isopropyl-3-methyl-phenyl)-2-(4-quinolylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(3-methyl-4-propan-2-ylphenyl)-2-(4-quinolinylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(3-methyl-4-propan-2-ylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-isopropyl-3-methyl-phenyl)-2-(4-quinolylmethylthio)nicotinamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC4=CC=CC=C34)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC4=CC=CC=C34)C(C)C

InChI

InChI=1S/C26H25N3OS/c1-17(2)21-11-10-20(15-18(21)3)29-25(30)23-8-6-13-28-26(23)31-16-19-12-14-27-24-9-5-4-7-22(19)24/h4-15,17H,16H2,1-3H3,(H,29,30)