2-(3-nitrophenyl)-N-[4-(trifluoromethyl)pyridazin-3-yl]sulfanyl-piperidine-1-carboxamide

Systemtic Name: 2-(3-nitrophenyl)-N-[4-(trifluoromethyl)pyridazin-3-yl]sulfanyl-piperidine-1-carboxamide Openeye Name: 2-(3-nitrophenyl)-N-[4-(trifluoromethyl)pyridazin-3-yl]sulfanyl-piperidine-1-carboxamide CAS Name: 2-(3-nitrophenyl)-N-[[4-(trifluoromethyl)-3-pyridazinyl]thio]-1-piperidinecarboxamide IUPAC Name: 2-(3-nitrophenyl)-N-[4-(trifluoromethyl)pyridazin-3-yl]sulfanylpiperidine-1-carboxamide Traditional Name: 2-(3-nitrophenyl)-N-[[4-(trifluoromethyl)pyridazin-3-yl]thio]piperidine-1-carboxamide Formula: C17H16F3N5O3S MolecularWeight: 427.40085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NSC3=C(C=CN=N3)C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NSC3=C(C=CN=N3)C(F)(F)F

InChI

InChI=1S/C17H16F3N5O3S/c18-17(19,20)13-7-8-21-22-15(13)29-23-16(26)24-9-2-1-6-14(24)11-4-3-5-12(10-11)25(27)28/h3-5,7-8,10,14H,1-2,6,9H2,(H,23,26)