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

Systemtic Name: 3-[[2-bromanyl-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-bromo-4-[(ethylcarbamothioylhydrazono)methyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[2-bromo-4-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-bromo-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[2-bromo-4-[(ethylthiocarbamoylhydrazono)methyl]phenoxy]methyl]benzoic acid Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-2-20-18(26)22-21-10-12-6-7-16(15(19)9-12)25-11-13-4-3-5-14(8-13)17(23)24/h3-10H,2,11H2,1H3,(H,23,24)(H2,20,22,26)