N-(3,5-dimethylphenyl)-2-(1-quinolin-4-ylethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-(1-quinolin-4-ylethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[1-(4-quinolyl)ethylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[1-(4-quinolinyl)ethylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-(1-quinolin-4-ylethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[1-(4-quinolyl)ethylthio]nicotinamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC(C)C3=CC=NC4=CC=CC=C34)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC(C)C3=CC=NC4=CC=CC=C34)C

InChI

InChI=1S/C25H23N3OS/c1-16-13-17(2)15-19(14-16)28-24(29)22-8-6-11-27-25(22)30-18(3)20-10-12-26-23-9-5-4-7-21(20)23/h4-15,18H,1-3H3,(H,28,29)