3-[[2-bromanyl-4-[(ethylcarbamothioylhydrazinylidene)methyl]-6-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-bromanyl-4-[(ethylcarbamothioylhydrazinylidene)methyl]-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-bromo-4-[(ethylcarbamothioylhydrazono)methyl]-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-bromo-4-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-bromo-4-[(ethylcarbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-bromo-4-[(ethylthiocarbamoylhydrazono)methyl]-6-methoxy-phenoxy]methyl]benzoic acid Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O4S/c1-3-21-19(28)23-22-10-13-8-15(20)17(16(9-13)26-2)27-11-12-5-4-6-14(7-12)18(24)25/h4-10H,3,11H2,1-2H3,(H,24,25)(H2,21,23,28)