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

Systemtic Name: 2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanamide Openeye Name: 2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetamide CAS Name: 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetamide IUPAC Name: 2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetamide Traditional Name: 2-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]acetamide Formula: C16H16N4OS MolecularWeight: 312.38944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4OS/c1-10-8-14(22-9-13(17)21)20-16(18-10)15(11(2)19-20)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,17,21)