(phenylmethyl) 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CNC(=S)N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C(=CNC(=S)N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S/c15-11(10-6-13-12(17)14-7-10)16-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,13,14,17)