4-(3-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: 4-(3-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: 4-(3-methoxyphenyl)-2-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 4-(3-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate IUPAC Name: 4-(3-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 4-(3-methoxyphenyl)-2-thioxo-1H-pyrimidine-6-carboxylate Formula: C12H9N2O3S- MolecularWeight: 261.27646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=S)NC(=C2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=S)NC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H10N2O3S/c1-17-8-4-2-3-7(5-8)9-6-10(11(15)16)14-12(18)13-9/h2-6H,1H3,(H,15,16)(H,13,14,18)/p-1