2-[2-bromanyl-4-[(ethylcarbamothioylhydrazinylidene)methyl]-6-iodanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-bromanyl-4-[(ethylcarbamothioylhydrazinylidene)methyl]-6-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[(ethylcarbamothioylhydrazono)methyl]-6-iodo-phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-6-iodophenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[(ethylcarbamothioylhydrazinylidene)methyl]-6-iodophenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[(ethylthiocarbamoylhydrazono)methyl]-6-iodo-phenoxy]acetic acid Formula: C12H13BrIN3O3S MolecularWeight: 486.12339

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C(=C1)I)OCC(=O)O)Br

Isomeric SMILES

CCNC(=S)NN=CC1=CC(=C(C(=C1)I)OCC(=O)O)Br

InChI

InChI=1S/C12H13BrIN3O3S/c1-2-15-12(21)17-16-5-7-3-8(13)11(9(14)4-7)20-6-10(18)19/h3-5H,2,6H2,1H3,(H,18,19)(H2,15,17,21)