2-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-(4-chlorophenyl)-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]thio]-N-phenyl-acetamide Formula: C22H19ClN4OS MolecularWeight: 422.93046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)NC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)NC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4OS/c1-14-12-20(29-13-19(28)25-18-6-4-3-5-7-18)27-22(24-14)21(15(2)26-27)16-8-10-17(23)11-9-16/h3-12H,13H2,1-2H3,(H,25,28)