ethyl-[[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]carbamothioyl]carbamic acid

Systemtic Name: ethyl-[[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]carbamothioyl]carbamic acid Openeye Name: ethyl-[[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]carbamothioyl]carbamic acid CAS Name: ethyl-[[[[(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]carbamic acid IUPAC Name: ethyl-[[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]carbamothioyl]carbamic acid Traditional Name: ethyl-[[[(E)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]thiocarbamoyl]carbamic acid Formula: C12H16N6O2S2 MolecularWeight: 340.42444

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=S)NNC(=S)NN=C(C)C1=CC=CC=N1)C(=O)O

Isomeric SMILES

CCN(C(=S)NNC(=S)N/N=C(\C)/C1=CC=CC=N1)C(=O)O

InChI

InChI=1S/C12H16N6O2S2/c1-3-18(12(19)20)11(22)17-16-10(21)15-14-8(2)9-6-4-5-7-13-9/h4-7H,3H2,1-2H3,(H,17,22)(H,19,20)(H2,15,16,21)/b14-8+