ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[(4-cyanophenyl)methyl]-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[(4-cyanophenyl)methyl]-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[(4-cyanophenyl)methyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-1-[(4-cyanophenyl)methyl]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[(4-cyanophenyl)methyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-1-(4-cyanobenzyl)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C#N)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C#N)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-2-29-21(28)18-12-25-22(30-14-17-5-3-4-6-19(17)23)26(20(18)27)13-16-9-7-15(11-24)8-10-16/h3-10,12H,2,13-14H2,1H3