2-[2-[2,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyrimidin-1-yl]ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[2,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyrimidin-1-yl]ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[2,4-bis(4-chlorophenyl)-5-cyano-6-oxo-pyrimidin-1-yl]ethylsulfanyl]acetic acid CAS Name: 2-[2-[2,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1-pyrimidinyl]ethylthio]acetic acid IUPAC Name: 2-[2-[2,4-bis(4-chlorophenyl)-5-cyano-6-oxopyrimidin-1-yl]ethylsulfanyl]acetic acid Traditional Name: 2-[2-[2,4-bis(4-chlorophenyl)-5-cyano-6-keto-pyrimidin-1-yl]ethylthio]acetic acid Formula: C21H15Cl2N3O3S MolecularWeight: 460.3331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)CCSCC(=O)O)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)CCSCC(=O)O)C#N)Cl

InChI

InChI=1S/C21H15Cl2N3O3S/c22-15-5-1-13(2-6-15)19-17(11-24)21(29)26(9-10-30-12-18(27)28)20(25-19)14-3-7-16(23)8-4-14/h1-8H,9-10,12H2,(H,27,28)