4-[[4-[(ethylcarbamothioylhydrazinylidene)methyl]-2-iodanyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[(ethylcarbamothioylhydrazinylidene)methyl]-2-iodanyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(ethylcarbamothioylhydrazono)methyl]-2-iodo-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-iodophenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(ethylcarbamothioylhydrazinylidene)methyl]-2-iodophenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(ethylthiocarbamoylhydrazono)methyl]-2-iodo-phenoxy]methyl]benzoic acid Formula: C18H18IN3O3S MolecularWeight: 483.32329

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)I

Isomeric SMILES

CCNC(=S)NN=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)I

InChI

InChI=1S/C18H18IN3O3S/c1-2-20-18(26)22-21-10-13-5-8-16(15(19)9-13)25-11-12-3-6-14(7-4-12)17(23)24/h3-10H,2,11H2,1H3,(H,23,24)(H2,20,22,26)