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

Systemtic Name: 2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: 2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-N-phenyl-acetamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS/c1-15-13-20(28-14-19(27)24-18-11-7-4-8-12-18)26-22(23-15)21(16(2)25-26)17-9-5-3-6-10-17/h3-13H,14H2,1-2H3,(H,24,27)