2-chloranyl-5-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 2-chloranyl-5-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 2-chloro-5-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-chloro-5-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 2-chloro-5-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 2-chloro-5-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C14H9ClN4O2S MolecularWeight: 332.76486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=NNC2=S)C3=CC=NC=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1N2C(=NNC2=S)C3=CC=NC=C3)C(=O)O)Cl

InChI

InChI=1S/C14H9ClN4O2S/c15-11-2-1-9(7-10(11)13(20)21)19-12(17-18-14(19)22)8-3-5-16-6-4-8/h1-7H,(H,18,22)(H,20,21)