4-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzenesulfonic acid

Systemtic Name: 4-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzenesulfonic acid Openeye Name: 4-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]benzenesulfonic acid CAS Name: 4-[[[(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzenesulfonic acid IUPAC Name: 4-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzenesulfonic acid Traditional Name: 4-[[(E)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]besylic acid Formula: C14H14N4O3S2 MolecularWeight: 350.41596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)O)C2=CC=CC=N2

Isomeric SMILES

C/C(=N\NC(=S)NC1=CC=C(C=C1)S(=O)(=O)O)/C2=CC=CC=N2

InChI

InChI=1S/C14H14N4O3S2/c1-10(13-4-2-3-9-15-13)17-18-14(22)16-11-5-7-12(8-6-11)23(19,20)21/h2-9H,1H3,(H2,16,18,22)(H,19,20,21)/b17-10+