N-[2-nitro-4-(trifluoromethyl)phenyl]-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]-N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide Formula: C26H21F3N4O4S MolecularWeight: 542.52955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C26H21F3N4O4S/c1-15(2)17-7-4-6-10-21(17)32-24(35)18-8-3-5-9-19(18)31-25(32)38-14-23(34)30-20-12-11-16(26(27,28)29)13-22(20)33(36)37/h3-13,15H,14H2,1-2H3,(H,30,34)