[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C13H18ClN4OS2+ MolecularWeight: 345.89122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN4OS2/c1-17-4-6-18(7-5-17)13(20)21-9-12(19)16-11-3-2-10(14)8-15-11/h2-3,8H,4-7,9H2,1H3,(H,15,16,19)/p+1