N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C19H15F3N4O4S MolecularWeight: 452.40701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H15F3N4O4S/c1-10-7-14(26(28)29)15(30-2)8-13(10)23-16(27)9-31-17-11-5-3-4-6-12(11)24-18(25-17)19(20,21)22/h3-8H,9H2,1-2H3,(H,23,27)