3-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-4-methyl-benzoic acid

Systemtic Name: 3-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-4-methyl-benzoic acid Openeye Name: 3-(6,6-dimethyl-2-thioxo-1H-pyrimidin-3-yl)-4-methyl-benzoic acid CAS Name: 3-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-4-methylbenzoic acid IUPAC Name: 3-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-4-methylbenzoic acid Traditional Name: 3-(6,6-dimethyl-2-thioxo-1H-pyrimidin-3-yl)-4-methyl-benzoic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2S/c1-9-4-5-10(12(17)18)8-11(9)16-7-6-14(2,3)15-13(16)19/h4-8H,1-3H3,(H,15,19)(H,17,18)