2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(5-tert-butyl-2-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O3S/c1-16-23(17-8-6-5-7-9-17)24-27-20(25(2,3)4)14-22(29(24)28-16)34-15-21(31)26-18-10-12-19(13-11-18)30(32)33/h5-14H,15H2,1-4H3,(H,26,31)