N-[4-[3-methyl-6-(trifluoromethyl)pyridazin-4-yl]sulfanylphenyl]piperidine-1-carboxamide

Systemtic Name: N-[4-[3-methyl-6-(trifluoromethyl)pyridazin-4-yl]sulfanylphenyl]piperidine-1-carboxamide Openeye Name: N-[4-[3-methyl-6-(trifluoromethyl)pyridazin-4-yl]sulfanylphenyl]piperidine-1-carboxamide CAS Name: N-[4-[[3-methyl-6-(trifluoromethyl)-4-pyridazinyl]thio]phenyl]-1-piperidinecarboxamide IUPAC Name: N-[4-[3-methyl-6-(trifluoromethyl)pyridazin-4-yl]sulfanylphenyl]piperidine-1-carboxamide Traditional Name: N-[4-[[3-methyl-6-(trifluoromethyl)pyridazin-4-yl]thio]phenyl]piperidine-1-carboxamide Formula: C18H19F3N4OS MolecularWeight: 396.42987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1SC2=CC=C(C=C2)NC(=O)N3CCCCC3)C(F)(F)F

Isomeric SMILES

CC1=NN=C(C=C1SC2=CC=C(C=C2)NC(=O)N3CCCCC3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4OS/c1-12-15(11-16(24-23-12)18(19,20)21)27-14-7-5-13(6-8-14)22-17(26)25-9-3-2-4-10-25/h5-8,11H,2-4,9-10H2,1H3,(H,22,26)