ethyl 1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-phenyl-pyrazole-4-carboxylate CAS Name: 1-[6-(3,4-dimethylphenoxy)-2-(methylthio)-4-pyrimidinyl]-5-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3,4-dimethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-5-phenylpyrazole-4-carboxylate Traditional Name: 1-[6-(3,4-dimethylphenoxy)-2-(methylthio)pyrimidin-4-yl]-5-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC(=N2)SC)OC3=CC(=C(C=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC(=N2)SC)OC3=CC(=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3S/c1-5-31-24(30)20-15-26-29(23(20)18-9-7-6-8-10-18)21-14-22(28-25(27-21)33-4)32-19-12-11-16(2)17(3)13-19/h6-15H,5H2,1-4H3