N-(2-methyl-3-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C19H15F3N4O3S MolecularWeight: 436.40761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H15F3N4O3S/c1-10-13(8-5-9-15(10)26(28)29)23-16(27)11(2)30-17-12-6-3-4-7-14(12)24-18(25-17)19(20,21)22/h3-9,11H,1-2H3,(H,23,27)