(phenylmethyl) 6-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 6-benzyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-benzyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-benzyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(NC(=S)N1)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(=C(NC(=S)N1)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S/c22-18(23-13-15-9-5-2-6-10-15)16-12-20-19(24)21-17(16)11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,20,21,24)