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

Systemtic Name: 2-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[3-(4-chlorophenyl)-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]thio]-1-phenyl-ethanone Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3OS/c1-14-12-20(28-13-19(27)16-6-4-3-5-7-16)26-22(24-14)21(15(2)25-26)17-8-10-18(23)11-9-17/h3-12H,13H2,1-2H3