4-(4-ethylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: 4-(4-ethylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: 4-(4-ethylphenyl)-2-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 4-(4-ethylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate IUPAC Name: 4-(4-ethylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-thioxo-1H-pyrimidine-6-carboxylate Formula: C13H11N2O2S- MolecularWeight: 259.30364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H12N2O2S/c1-2-8-3-5-9(6-4-8)10-7-11(12(16)17)15-13(18)14-10/h3-7H,2H2,1H3,(H,16,17)(H,14,15,18)/p-1