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

Systemtic Name: 2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O3S/c1-14-11-20(31-13-19(28)24-17-9-6-10-18(12-17)27(29)30)26-22(23-14)21(15(2)25-26)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,24,28)