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

Systemtic Name: 4-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid Openeye Name: 4-(6,6-dimethyl-2-thioxo-1H-pyrimidin-3-yl)benzoic acid CAS Name: 4-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid IUPAC Name: 4-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid Traditional Name: 4-(6,6-dimethyl-2-thioxo-1H-pyrimidin-3-yl)benzoic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CN(C(=S)N1)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1(C=CN(C(=S)N1)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C13H14N2O2S/c1-13(2)7-8-15(12(18)14-13)10-5-3-9(4-6-10)11(16)17/h3-8H,1-2H3,(H,14,18)(H,16,17)