1-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(2-pyrimidylthio)ethanone Formula: C13H10N2O3S MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C13H10N2O3S/c16-10(7-19-13-14-4-1-5-15-13)9-2-3-11-12(6-9)18-8-17-11/h1-6H,7-8H2