(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C22H23N5O2S/c1-14-18(15(2)25-22(24-14)30-4)10-11-21(28)29-13-20-19(12-23)16(3)26-27(20)17-8-6-5-7-9-17/h5-9H,10-11,13H2,1-4H3