[4-(4-cyanophenyl)phenyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [4-(4-cyanophenyl)phenyl] ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H21N3O2S/c1-15-21(16(2)26-23(25-15)29-3)12-13-22(27)28-20-10-8-19(9-11-20)18-6-4-17(14-24)5-7-18/h4-11H,12-13H2,1-3H3