2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(2-ethoxyphenyl)ethanone

Systemtic Name: 2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(2-ethoxyphenyl)ethanone Openeye Name: 2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(2-ethoxyphenyl)ethanone CAS Name: 2-[(5-tert-butyl-2-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-1-(2-ethoxyphenyl)ethanone IUPAC Name: 2-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(2-ethoxyphenyl)ethanone Traditional Name: 2-[(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-1-o-phenetyl-ethanone Formula: C27H29N3O2S MolecularWeight: 459.60306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)CSC2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)CSC2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C27H29N3O2S/c1-6-32-22-15-11-10-14-20(22)21(31)17-33-24-16-23(27(3,4)5)28-26-25(18(2)29-30(24)26)19-12-8-7-9-13-19/h7-16H,6,17H2,1-5H3