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

Systemtic Name: 5-methyl-2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid Openeye Name: 5-methyl-2-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)benzenesulfonic acid CAS Name: 5-methyl-2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid IUPAC Name: 5-methyl-2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid Traditional Name: 5-methyl-2-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)besylic acid Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(NC2=S)(C)C)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(NC2=S)(C)C)C)S(=O)(=O)O

InChI

InChI=1S/C14H18N2O3S2/c1-9-5-6-11(12(7-9)21(17,18)19)16-10(2)8-14(3,4)15-13(16)20/h5-8H,1-4H3,(H,15,20)(H,17,18,19)