N,N-dimethyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]benzenesulfonamide Formula: C18H16F3N3O2S2 MolecularWeight: 427.46375

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O2S2/c1-24(2)28(25,26)13-7-5-6-12(10-13)11-27-16-14-8-3-4-9-15(14)22-17(23-16)18(19,20)21/h3-10H,11H2,1-2H3