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

Systemtic Name: 2-[4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate CAS Name: 2-[4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetate Formula: C15H17N4O3S- MolecularWeight: 333.38548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CC=C(C=C2)OCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CC=C(C=C2)OCC(=O)[O-]

InChI

InChI=1S/C15H18N4O3S/c1-15(2,3)13-17-18-14(23)19(13)16-8-10-4-6-11(7-5-10)22-9-12(20)21/h4-8H,9H2,1-3H3,(H,18,23)(H,20,21)/p-1/b16-8-