2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(2S)-2-phenylbutyl]pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(2S)-2-phenylbutyl]pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[(2S)-2-phenylbutyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[(2S)-2-phenylbutyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(2S)-2-phenylbutyl]pyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-[(2S)-2-phenylbutyl]nicotinamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-3-16(17-8-5-4-6-9-17)13-23-20(25)19-10-7-11-22-21(19)27-14-18-12-15(2)26-24-18/h4-12,16H,3,13-14H2,1-2H3,(H,23,25)/t16-/m1/s1