[2-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-(3,5-dibromo-2-hydroxy-phenyl)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(3,5-dibromo-2-hydroxy-phenyl)-2-keto-ethyl] ester Formula: C13H15Br2NO2S2 MolecularWeight: 441.2017

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)C1=CC(=CC(=C1O)Br)Br

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)C1=CC(=CC(=C1O)Br)Br

InChI

InChI=1S/C13H15Br2NO2S2/c1-3-16(4-2)13(19)20-7-11(17)9-5-8(14)6-10(15)12(9)18/h5-6,18H,3-4,7H2,1-2H3