5-chloranyl-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C22H17ClFN5OS MolecularWeight: 453.919683

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H17ClFN5OS/c1-31-22-26-12-18(23)20(27-22)21(30)25-11-15-13-29(17-5-3-2-4-6-17)28-19(15)14-7-9-16(24)10-8-14/h2-10,12-13H,11H2,1H3,(H,25,30)