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

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(3-methylphenoxy)propyl]pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[3-(3-methylphenoxy)propyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[3-(3-methylphenoxy)propyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(3-methylphenoxy)propyl]pyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-[3-(3-methylphenoxy)propyl]nicotinamide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

InChI

InChI=1S/C21H23N3O3S/c1-15-6-3-7-18(12-15)26-11-5-10-22-20(25)19-8-4-9-23-21(19)28-14-17-13-16(2)27-24-17/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,22,25)