4-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: 4-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: 4-(4-isopropylphenyl)-2-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 4-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate IUPAC Name: 4-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 4-p-cumenyl-2-thioxo-1H-pyrimidine-6-carboxylate Formula: C14H13N2O2S- MolecularWeight: 273.33022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H14N2O2S/c1-8(2)9-3-5-10(6-4-9)11-7-12(13(17)18)16-14(19)15-11/h3-8H,1-2H3,(H,17,18)(H,15,16,19)/p-1