N-[(2S)-butan-2-yl]-1-[6-(3-fluorophenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-[6-(3-fluorophenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide Openeye Name: 1-[6-(3-fluorophenyl)sulfanylpyridazin-3-yl]-N-[(1S)-1-methylpropyl]piperidine-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[6-[(3-fluorophenyl)thio]-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[6-(3-fluorophenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide Traditional Name: 1-[6-[(3-fluorophenyl)thio]pyridazin-3-yl]-N-[(1S)-1-methylpropyl]isonipecotamide Formula: C20H25FN4OS MolecularWeight: 388.502103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCN(CC1)C2=NN=C(C=C2)SC3=CC=CC(=C3)F

Isomeric SMILES

CC[C@H](C)NC(=O)C1CCN(CC1)C2=NN=C(C=C2)SC3=CC=CC(=C3)F

InChI

InChI=1S/C20H25FN4OS/c1-3-14(2)22-20(26)15-9-11-25(12-10-15)18-7-8-19(24-23-18)27-17-6-4-5-16(21)13-17/h4-8,13-15H,3,9-12H2,1-2H3,(H,22,26)/t14-/m0/s1