N-(4-tert-butylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-(4-quinolylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-(4-quinolinylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-(4-quinolylmethylthio)nicotinamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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