5-(4-butylphenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-(4-butylphenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-(4-butylphenyl)sulfonyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-(4-butylphenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-(4-butylphenyl)sulfonyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-(4-butylphenyl)sulfonyl-2-thioxo-1H-pyrimidin-4-one Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=CNC(=S)NC2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=CNC(=S)NC2=O

InChI

InChI=1S/C14H16N2O3S2/c1-2-3-4-10-5-7-11(8-6-10)21(18,19)12-9-15-14(20)16-13(12)17/h5-9H,2-4H2,1H3,(H2,15,16,17,20)