2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)ethanamide

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)ethanamide Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(6-pyrazol-1-yl-3-pyridyl)acetamide CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-[6-(1-pyrazolyl)-3-pyridinyl]acetamide IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)acetamide Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-(6-pyrazol-1-yl-3-pyridyl)acetamide Formula: C17H12F3N5O3S MolecularWeight: 423.36909

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=NC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=NC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N5O3S/c18-17(19,20)11-2-4-14(13(8-11)25(27)28)29-10-16(26)23-12-3-5-15(21-9-12)24-7-1-6-22-24/h1-9H,10H2,(H,23,26)