1-(4-methyl-3-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C18H12F3N3O3S MolecularWeight: 407.36639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12F3N3O3S/c1-10-6-7-11(8-14(10)24(26)27)15(25)9-28-16-12-4-2-3-5-13(12)22-17(23-16)18(19,20)21/h2-8H,9H2,1H3