(2S)-N-(2-propan-2-ylpyrazol-3-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(2-propan-2-ylpyrazol-3-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(2-isopropylpyrazol-3-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-(2-propan-2-yl-3-pyrazolyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(2-propan-2-ylpyrazol-3-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-(2-isopropylpyrazol-3-yl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C18H18F3N5OS MolecularWeight: 409.42863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H18F3N5OS/c1-10(2)26-14(8-9-22-26)24-15(27)11(3)28-16-12-6-4-5-7-13(12)23-17(25-16)18(19,20)21/h4-11H,1-3H3,(H,24,27)/t11-/m0/s1