methyl 2-[4-bromanyl-2-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-bromanyl-2-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-bromo-2-[(ethylcarbamothioylhydrazono)methyl]phenoxy]acetate CAS Name: 2-[4-bromo-2-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-bromo-2-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetate Traditional Name: 2-[4-bromo-2-[(ethylthiocarbamoylhydrazono)methyl]phenoxy]acetic acid methyl ester Formula: C13H16BrN3O3S MolecularWeight: 374.25344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O3S/c1-3-15-13(21)17-16-7-9-6-10(14)4-5-11(9)20-8-12(18)19-2/h4-7H,3,8H2,1-2H3,(H2,15,17,21)