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

Systemtic Name: 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[(5-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C21H17N5O3S MolecularWeight: 419.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3S/c1-14-10-20(25-21(23-14)18(12-22-25)15-6-3-2-4-7-15)30-13-19(27)24-16-8-5-9-17(11-16)26(28)29/h2-12H,13H2,1H3,(H,24,27)