N-[[4-(dimethylaminomethyl)phenyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[4-(dimethylaminomethyl)benzyl]-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)CN(C)C

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)CN(C)C

InChI

InChI=1S/C21H24N4O2S/c1-15-11-18(24-27-15)14-28-21-19(5-4-10-22-21)20(26)23-12-16-6-8-17(9-7-16)13-25(2)3/h4-11H,12-14H2,1-3H3,(H,23,26)