3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid

Systemtic Name: 3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid Openeye Name: 3-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)benzenesulfonic acid CAS Name: 3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid IUPAC Name: 3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid Traditional Name: 3-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)besylic acid Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(=S)N1C2=CC(=CC=C2)S(=O)(=O)O)(C)C

Isomeric SMILES

CC1=CC(NC(=S)N1C2=CC(=CC=C2)S(=O)(=O)O)(C)C

InChI

InChI=1S/C13H16N2O3S2/c1-9-8-13(2,3)14-12(19)15(9)10-5-4-6-11(7-10)20(16,17)18/h4-8H,1-3H3,(H,14,19)(H,16,17,18)