6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-thioxo-1H-pyrimidin-4-one Formula: C11H8N2O3S MolecularWeight: 248.25782

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)NC(=S)N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)NC(=S)N3

InChI

InChI=1S/C11H8N2O3S/c14-10-4-7(12-11(17)13-10)6-1-2-8-9(3-6)16-5-15-8/h1-4H,5H2,(H2,12,13,14,17)