2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]benzonitrile Formula: C17H10F3N3S MolecularWeight: 345.34161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C#N

InChI

InChI=1S/C17H10F3N3S/c18-17(19,20)16-22-14-8-4-3-7-13(14)15(23-16)24-10-12-6-2-1-5-11(12)9-21/h1-8H,10H2