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

Systemtic Name: 2-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate CAS Name: 2-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate Formula: C13H13N4O3S- MolecularWeight: 305.33232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)OCC(=O)[O-]

Isomeric SMILES

CCC1=NNC(=S)N1/N=C\C2=CC=C(C=C2)OCC(=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-2-11-15-16-13(21)17(11)14-7-9-3-5-10(6-4-9)20-8-12(18)19/h3-7H,2,8H2,1H3,(H,16,21)(H,18,19)/p-1/b14-7-