N-[(E)-1-pyridazin-3-ylpropylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide

Systemtic Name: N-[(E)-1-pyridazin-3-ylpropylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Openeye Name: N-[(E)-1-pyridazin-3-ylpropylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide CAS Name: N-[(E)-1-(3-pyridazinyl)propylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide IUPAC Name: N-[(E)-1-pyridazin-3-ylpropylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Traditional Name: N-[(E)-1-pyridazin-3-ylpropylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Formula: C16H23N5S MolecularWeight: 317.45232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=S)N1CC2CCC(C1)CC2)C3=NN=CC=C3

Isomeric SMILES

CC/C(=N\NC(=S)N1CC2CCC(C1)CC2)/C3=NN=CC=C3

InChI

InChI=1S/C16H23N5S/c1-2-14(15-4-3-9-17-18-15)19-20-16(22)21-10-12-5-6-13(11-21)8-7-12/h3-4,9,12-13H,2,5-8,10-11H2,1H3,(H,20,22)/b19-14+