N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]-2-(2-pyrimidylthio)acetamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5OS/c1-16-8-10-17(11-9-16)19-14-20(27(26-19)18-6-3-2-4-7-18)25-21(28)15-29-22-23-12-5-13-24-22/h2-14H,15H2,1H3,(H,25,28)