(1S,5R)-N-[(E)-1-pyridazin-3-ylethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide

Systemtic Name: (1S,5R)-N-[(E)-1-pyridazin-3-ylethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide Openeye Name: (1S,5R)-N-[(E)-1-pyridazin-3-ylethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide CAS Name: (1S,5R)-N-[(E)-1-(3-pyridazinyl)ethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide IUPAC Name: (1S,5R)-N-[(E)-1-pyridazin-3-ylethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide Traditional Name: (1S,5R)-N-[(E)-1-pyridazin-3-ylethylideneamino]-3-azabicyclo[3.3.2]decane-3-carbothioamide Formula: C16H23N5S MolecularWeight: 317.45232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CC2CCCC(C1)CC2)C3=NN=CC=C3

Isomeric SMILES

C/C(=N\NC(=S)N1C[C@@H]2CCC[C@H](C1)CC2)/C3=NN=CC=C3

InChI

InChI=1S/C16H23N5S/c1-12(15-6-3-9-17-19-15)18-20-16(22)21-10-13-4-2-5-14(11-21)8-7-13/h3,6,9,13-14H,2,4-5,7-8,10-11H2,1H3,(H,20,22)/b18-12+/t13-,14+