ethyl 2-[[4-(4-chlorophenyl)-5-cyano-6-sulfanylidene-5H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-(4-chlorophenyl)-5-cyano-6-sulfanylidene-5H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(4-chlorophenyl)-5-cyano-6-thioxo-5H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-5-cyano-6-sulfanylidene-5H-pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-chlorophenyl)-5-cyano-6-sulfanylidene-5H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-chlorophenyl)-5-cyano-6-thioxo-5H-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C15H12ClN3O2S2 MolecularWeight: 365.85768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=S)C(C(=N1)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCOC(=O)CSC1=NC(=S)C(C(=N1)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C15H12ClN3O2S2/c1-2-21-12(20)8-23-15-18-13(11(7-17)14(22)19-15)9-3-5-10(16)6-4-9/h3-6,11H,2,8H2,1H3