N'-[(1E)-1-(1-oxidanylidenepyridin-1-ium-2-ylidene)ethyl]azepane-1-carbothiohydrazide

Systemtic Name: N'-[(1E)-1-(1-oxidanylidenepyridin-1-ium-2-ylidene)ethyl]azepane-1-carbothiohydrazide Openeye Name: N'-[(1E)-1-(1-oxopyridin-1-ium-2-ylidene)ethyl]azepane-1-carbothiohydrazide CAS Name: N'-[(1E)-1-(1-oxo-2-pyridin-1-iumylidene)ethyl]-1-azepanecarbothiohydrazide IUPAC Name: N'-[(1E)-1-(1-oxopyridin-1-ium-2-ylidene)ethyl]azepane-1-carbothiohydrazide Traditional Name: N'-[(1E)-1-(1-ketopyridin-1-ium-2-ylidene)ethyl]azepane-1-carbothiohydrazide Formula: C14H21N4OS+ MolecularWeight: 293.40774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=C[N+]1=O)NNC(=S)N2CCCCCC2

Isomeric SMILES

C/C(=C\1/C=CC=C[N+]1=O)/NNC(=S)N2CCCCCC2

InChI

InChI=1S/C14H20N4OS/c1-12(13-8-4-7-11-18(13)19)15-16-14(20)17-9-5-2-3-6-10-17/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H-,15,16,19,20)/p+1