2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-pyridin-3-yl-ethanamide

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-pyridin-3-yl-ethanamide Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-pyridyl)acetamide CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-pyridin-3-ylacetamide Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-(3-pyridyl)acetamide Formula: C14H10F3N3O3S MolecularWeight: 357.30771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H10F3N3O3S/c15-14(16,17)9-3-4-12(11(6-9)20(22)23)24-8-13(21)19-10-2-1-5-18-7-10/h1-7H,8H2,(H,19,21)