N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-pyrimidylthio)acetamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=CC=N3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=CC=N3)OCO2

InChI

InChI=1S/C15H13N3O4S/c1-9(19)10-5-12-13(22-8-21-12)6-11(10)18-14(20)7-23-15-16-3-2-4-17-15/h2-6H,7-8H2,1H3,(H,18,20)