3-methyl-N-[4-(2-pyrimidin-2-ylsulfanylethanoyl)phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-(2-pyrimidin-2-ylsulfanylethanoyl)phenyl]butanamide Openeye Name: 3-methyl-N-[4-(2-pyrimidin-2-ylsulfanylacetyl)phenyl]butanamide CAS Name: 3-methyl-N-[4-[1-oxo-2-(2-pyrimidinylthio)ethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-(2-pyrimidin-2-ylsulfanylacetyl)phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-(2-pyrimidylthio)acetyl]phenyl]butyramide Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C17H19N3O2S/c1-12(2)10-16(22)20-14-6-4-13(5-7-14)15(21)11-23-17-18-8-3-9-19-17/h3-9,12H,10-11H2,1-2H3,(H,20,22)