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

Systemtic Name: N-[(E)-1-pyridazin-3-ylbutylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Openeye Name: N-[(E)-1-pyridazin-3-ylbutylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide CAS Name: N-[(E)-1-(3-pyridazinyl)butylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide IUPAC Name: N-[(E)-1-pyridazin-3-ylbutylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Traditional Name: N-[(E)-1-pyridazin-3-ylbutylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Formula: C17H25N5S MolecularWeight: 331.4789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5S/c1-2-4-15(16-5-3-10-18-19-16)20-21-17(23)22-11-13-6-7-14(12-22)9-8-13/h3,5,10,13-14H,2,4,6-9,11-12H2,1H3,(H,21,23)/b20-15+