[3,5-bis(chloranyl)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [3,5-bis(chloranyl)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3,5-dichlorophenyl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3,5-dichlorophenyl)methyl ester IUPAC Name: (3,5-dichlorophenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3,5-dichlorobenzyl) ester Formula: C13H12Cl2N2O2S MolecularWeight: 331.21758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H12Cl2N2O2S/c1-7-11(5-16-13(20)17-7)12(18)19-6-8-2-9(14)4-10(15)3-8/h2-4H,5-6H2,1H3,(H2,16,17,20)