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6-tert-butyl-2-[(2-cyanophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
6-tert-butyl-2-[(2-cyanophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=CC=C2C#N
Isomeric SMILES
CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=CC=C2C#N
InChI
InChI=1S/C19H16F3N3S/c1-18(2,3)16-8-15(19(20,21)22)14(10-24)17(25-16)26-11-13-7-5-4-6-12(13)9-23/h4-8H,11H2,1-3H3
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- 3-(3-hydroxyphenyl)propanoic acid
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