4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazoline

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazoline Openeye Name: 4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazoline CAS Name: 4-[[3-(trifluoromethyl)phenyl]methylthio]quinazoline IUPAC Name: 4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazoline Traditional Name: 4-[[3-(trifluoromethyl)benzyl]thio]quinazoline Formula: C16H11F3N2S MolecularWeight: 320.33215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H11F3N2S/c17-16(18,19)12-5-3-4-11(8-12)9-22-15-13-6-1-2-7-14(13)20-10-21-15/h1-8,10H,9H2