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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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