[2-(diethylamino)-2-oxidanylidene-ethyl] 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-bromophenyl)-2-imidazolyl]thio]acetic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)CSC1=NC=CN1C2=CC=C(C=C2)Br

Isomeric SMILES

CCN(CC)C(=O)COC(=O)CSC1=NC=CN1C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-3-20(4-2)15(22)11-24-16(23)12-25-17-19-9-10-21(17)14-7-5-13(18)6-8-14/h5-10H,3-4,11-12H2,1-2H3