2-[6-[bis(fluoranyl)methyl]-3-cyano-4-methyl-pyridin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[6-[bis(fluoranyl)methyl]-3-cyano-4-methyl-pyridin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridyl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridyl]thio]-N-(3-nitrophenyl)acetamide Formula: C16H12F2N4O3S MolecularWeight: 378.353286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(F)F

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(F)F

InChI

InChI=1S/C16H12F2N4O3S/c1-9-5-13(15(17)18)21-16(12(9)7-19)26-8-14(23)20-10-3-2-4-11(6-10)22(24)25/h2-6,15H,8H2,1H3,(H,20,23)