3-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-2-pyridylmethyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(2E)-2-(2-pyridinylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-2-pyridylmethyleneamino]thiocarbamoylamino]benzoic acid Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)/C=N/NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H12N4O2S/c19-13(20)10-4-3-6-11(8-10)17-14(21)18-16-9-12-5-1-2-7-15-12/h1-9H,(H,19,20)(H2,17,18,21)/b16-9+