2-[4-[(E)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid Formula: C15H18N4O3S MolecularWeight: 334.39342

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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)/b16-8+