4-(pyridin-4-ylcarbothioylamino)benzoate

Systemtic Name: 4-(pyridin-4-ylcarbothioylamino)benzoate Openeye Name: 4-(pyridine-4-carbothioylamino)benzoate CAS Name: 4-[[pyridin-4-yl(sulfanylidene)methyl]amino]benzoate IUPAC Name: 4-(pyridine-4-carbothioylamino)benzoate Traditional Name: 4-(pyridine-4-carbothioylamino)benzoate Formula: C13H9N2O2S- MolecularWeight: 257.28776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=S)C2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=S)C2=CC=NC=C2

InChI

InChI=1S/C13H10N2O2S/c16-13(17)10-1-3-11(4-2-10)15-12(18)9-5-7-14-8-6-9/h1-8H,(H,15,18)(H,16,17)/p-1