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

Systemtic Name: N-[4-(2-pyrimidin-2-ylsulfanylethanoyl)phenyl]butanamide Openeye Name: N-[4-(2-pyrimidin-2-ylsulfanylacetyl)phenyl]butanamide CAS Name: N-[4-[1-oxo-2-(2-pyrimidinylthio)ethyl]phenyl]butanamide IUPAC Name: N-[4-(2-pyrimidin-2-ylsulfanylacetyl)phenyl]butanamide Traditional Name: N-[4-[2-(2-pyrimidylthio)acetyl]phenyl]butyramide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-2-4-15(21)19-13-7-5-12(6-8-13)14(20)11-22-16-17-9-3-10-18-16/h3,5-10H,2,4,11H2,1H3,(H,19,21)