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

Systemtic Name: (2S)-N-(3-methylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(m-tolyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-(m-tolyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C19H16F3N3OS MolecularWeight: 391.41005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H16F3N3OS/c1-11-6-5-7-13(10-11)23-16(26)12(2)27-17-14-8-3-4-9-15(14)24-18(25-17)19(20,21)22/h3-10,12H,1-2H3,(H,23,26)/t12-/m0/s1