2-[3-(5-cyano-6-oxidanylidene-2,4-diphenyl-pyrimidin-1-yl)propylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-(5-cyano-6-oxidanylidene-2,4-diphenyl-pyrimidin-1-yl)propylsulfanyl]ethanoic acid Openeye Name: 2-[3-(5-cyano-6-oxo-2,4-diphenyl-pyrimidin-1-yl)propylsulfanyl]acetic acid CAS Name: 2-[3-(5-cyano-6-oxo-2,4-diphenyl-1-pyrimidinyl)propylthio]acetic acid IUPAC Name: 2-[3-(5-cyano-6-oxo-2,4-diphenylpyrimidin-1-yl)propylsulfanyl]acetic acid Traditional Name: 2-[3-(5-cyano-6-keto-2,4-diphenyl-pyrimidin-1-yl)propylthio]acetic acid Formula: C22H19N3O3S MolecularWeight: 405.46956

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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)CCCSCC(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c23-14-18-20(16-8-3-1-4-9-16)24-21(17-10-5-2-6-11-17)25(22(18)28)12-7-13-29-15-19(26)27/h1-6,8-11H,7,12-13,15H2,(H,26,27)