3-[3-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]indol-1-yl]propionitrile Formula: C22H15F3N4OS MolecularWeight: 440.44091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H15F3N4OS/c23-22(24,25)21-27-17-8-3-1-7-15(17)20(28-21)31-13-19(30)16-12-29(11-5-10-26)18-9-4-2-6-14(16)18/h1-4,6-9,12H,5,11,13H2