ethyl 5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H21N5O3S/c1-4-28-19(27)16-11-21-25(15-8-6-5-7-9-15)18(16)24-17(26)12-29-20-22-13(2)10-14(3)23-20/h5-11H,4,12H2,1-3H3,(H,24,26)