N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-3-pyrazolyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[5-(2,5-dimethylphenyl)-2-phenylpyrazol-3-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-(2-pyrimidylthio)acetamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=C2)NC(=O)CSC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=C2)NC(=O)CSC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5OS/c1-16-9-10-17(2)19(13-16)20-14-21(28(27-20)18-7-4-3-5-8-18)26-22(29)15-30-23-24-11-6-12-25-23/h3-14H,15H2,1-2H3,(H,26,29)