1-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylsulfanylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylsulfanylphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylsulfanylphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-5-[4-(ethylthio)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylsulfanylphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-[4-(ethylthio)phenyl]pyrazole-3-carboxylic acid Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=CC(=NN2C3=NC(=CC(=N3)C)C)C(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=CC(=NN2C3=NC(=CC(=N3)C)C)C(=O)O

InChI

InChI=1S/C18H18N4O2S/c1-4-25-14-7-5-13(6-8-14)16-10-15(17(23)24)21-22(16)18-19-11(2)9-12(3)20-18/h5-10H,4H2,1-3H3,(H,23,24)