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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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