N'-[1-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]-4-pyridin-2-yl-piperazine-1-carbothiohydrazide

Systemtic Name: N'-[1-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]-4-pyridin-2-yl-piperazine-1-carbothiohydrazide Openeye Name: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]-4-(2-pyridyl)piperazine-1-carbothiohydrazide CAS Name: N'-[1-(1-oxido-2-pyridin-1-iumyl)ethyl]-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide IUPAC Name: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carbothiohydrazide Traditional Name: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]-4-(2-pyridyl)piperazine-1-carbothiohydrazide Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H22N6OS/c1-14(15-6-3-5-9-23(15)24)19-20-17(25)22-12-10-21(11-13-22)16-7-2-4-8-18-16/h2-9,14,19H,10-13H2,1H3,(H,20,25)