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

Systemtic Name: 2-[2-(5-cyano-6-oxidanylidene-2,4-diphenyl-pyrimidin-1-yl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(5-cyano-6-oxo-2,4-diphenyl-pyrimidin-1-yl)ethylsulfanyl]acetic acid CAS Name: 2-[2-(5-cyano-6-oxo-2,4-diphenyl-1-pyrimidinyl)ethylthio]acetic acid IUPAC Name: 2-[2-(5-cyano-6-oxo-2,4-diphenylpyrimidin-1-yl)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(5-cyano-6-keto-2,4-diphenyl-pyrimidin-1-yl)ethylthio]acetic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)C3=CC=CC=C3)CCSCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)C3=CC=CC=C3)CCSCC(=O)O)C#N

InChI

InChI=1S/C21H17N3O3S/c22-13-17-19(15-7-3-1-4-8-15)23-20(16-9-5-2-6-10-16)24(21(17)27)11-12-28-14-18(25)26/h1-10H,11-12,14H2,(H,25,26)