N-[(E)-1-pyridazin-3-ylbutylideneamino]azepane-1-carbothioamide

Systemtic Name: N-[(E)-1-pyridazin-3-ylbutylideneamino]azepane-1-carbothioamide Openeye Name: N-[(E)-1-pyridazin-3-ylbutylideneamino]azepane-1-carbothioamide CAS Name: N-[(E)-1-(3-pyridazinyl)butylideneamino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-1-pyridazin-3-ylbutylideneamino]azepane-1-carbothioamide Traditional Name: N-[(E)-1-pyridazin-3-ylbutylideneamino]azepane-1-carbothioamide Formula: C15H23N5S MolecularWeight: 305.44162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=S)N1CCCCCC1)C2=NN=CC=C2

Isomeric SMILES

CCC/C(=N\NC(=S)N1CCCCCC1)/C2=NN=CC=C2

InChI

InChI=1S/C15H23N5S/c1-2-8-13(14-9-7-10-16-17-14)18-19-15(21)20-11-5-3-4-6-12-20/h7,9-10H,2-6,8,11-12H2,1H3,(H,19,21)/b18-13+