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

Systemtic Name: 2-[2-[(Z)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanoate Openeye Name: 2-[2-[(Z)-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetate CAS Name: 2-[2-[(Z)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate IUPAC Name: 2-[2-[(Z)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate Traditional Name: 2-[2-[(Z)-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetate Formula: C16H12N5O3S- MolecularWeight: 354.36318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3)OCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=N\N2C(=NNC2=S)C3=CC=NC=C3)OCC(=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c22-14(23)10-24-13-4-2-1-3-12(13)9-18-21-15(19-20-16(21)25)11-5-7-17-8-6-11/h1-9H,10H2,(H,20,25)(H,22,23)/p-1/b18-9-