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

Systemtic Name: N-[(E)-1-pyridazin-3-ylpropylideneamino]azepane-1-carbothioamide Openeye Name: N-[(E)-1-pyridazin-3-ylpropylideneamino]azepane-1-carbothioamide CAS Name: N-[(E)-1-(3-pyridazinyl)propylideneamino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-1-pyridazin-3-ylpropylideneamino]azepane-1-carbothioamide Traditional Name: N-[(E)-1-pyridazin-3-ylpropylideneamino]azepane-1-carbothioamide Formula: C14H21N5S MolecularWeight: 291.41504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5S/c1-2-12(13-8-7-9-15-16-13)17-18-14(20)19-10-5-3-4-6-11-19/h7-9H,2-6,10-11H2,1H3,(H,18,20)/b17-12+