N-(cyanomethyl)-N-phenyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(cyanomethyl)-N-phenyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(cyanomethyl)-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(cyanomethyl)-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(cyanomethyl)-N-phenyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(cyanomethyl)-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C16H12F3N3OS MolecularWeight: 351.34619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H12F3N3OS/c17-16(18,19)12-6-7-14(21-10-12)24-11-15(23)22(9-8-20)13-4-2-1-3-5-13/h1-7,10H,9,11H2