3-methyl-N-prop-2-ynyl-2-pyridin-2-ylsulfanyl-butanamide

Systemtic Name: 3-methyl-N-prop-2-ynyl-2-pyridin-2-ylsulfanyl-butanamide Openeye Name: 3-methyl-N-prop-2-ynyl-2-(2-pyridylsulfanyl)butanamide CAS Name: 3-methyl-N-prop-2-ynyl-2-(2-pyridinylthio)butanamide IUPAC Name: 3-methyl-N-prop-2-ynyl-2-pyridin-2-ylsulfanylbutanamide Traditional Name: 3-methyl-N-propargyl-2-(2-pyridylthio)butyramide Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC#C)SC1=CC=CC=N1

Isomeric SMILES

CC(C)C(C(=O)NCC#C)SC1=CC=CC=N1

InChI

InChI=1S/C13H16N2OS/c1-4-8-15-13(16)12(10(2)3)17-11-7-5-6-9-14-11/h1,5-7,9-10,12H,8H2,2-3H3,(H,15,16)