sulfanyl 1-(4,6-dimethylpyrimidin-2-yl)-3-ethyl-5-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: sulfanyl 1-(4,6-dimethylpyrimidin-2-yl)-3-ethyl-5-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: sulfanyl 5-benzyl-1-(4,6-dimethylpyrimidin-2-yl)-3-ethyl-pyrazole-4-carboxylate CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-3-ethyl-5-(phenylmethyl)-4-pyrazolecarboxylic acid mercapto ester IUPAC Name: sulfanyl 5-benzyl-1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrazole-4-carboxylate Traditional Name: 5-benzyl-1-(4,6-dimethylpyrimidin-2-yl)-3-ethyl-pyrazole-4-carboxylic acid mercapto ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)OS)CC2=CC=CC=C2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC1=NN(C(=C1C(=O)OS)CC2=CC=CC=C2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H20N4O2S/c1-4-15-17(18(24)25-26)16(11-14-8-6-5-7-9-14)23(22-15)19-20-12(2)10-13(3)21-19/h5-10,26H,4,11H2,1-3H3