2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanoate

Systemtic Name: 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanoate Openeye Name: 2-[4-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]acetate CAS Name: 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetate IUPAC Name: 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetate Traditional Name: 2-[4-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]acetate Formula: C15H11N4O2S- MolecularWeight: 311.33844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)[O-])N2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1CC(=O)[O-])N2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C15H12N4O2S/c20-13(21)9-10-1-3-12(4-2-10)19-14(17-18-15(19)22)11-5-7-16-8-6-11/h1-8H,9H2,(H,18,22)(H,20,21)/p-1