5-azanylidene-6-[[2-[2-(4-bromanylphenoxy)ethoxy]-5-chloranyl-phenyl]methylidene]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[2-[2-(4-bromanylphenoxy)ethoxy]-5-chloranyl-phenyl]methylidene]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[2-[2-(4-bromophenoxy)ethoxy]-5-chloro-phenyl]methylene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[2-[2-(4-bromophenoxy)ethoxy]-5-chlorophenyl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[2-[2-(4-bromophenoxy)ethoxy]-5-chlorophenyl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[2-[2-(4-bromophenoxy)ethoxy]-5-chloro-benzylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C22H18BrClN4O3S MolecularWeight: 533.82532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=N)C(=CC3=C(C=CC(=C3)Cl)OCCOC4=CC=C(C=C4)Br)C(=O)N=C2S1

Isomeric SMILES

CCC1=NN2C(=N)C(=CC3=C(C=CC(=C3)Cl)OCCOC4=CC=C(C=C4)Br)C(=O)N=C2S1

InChI

InChI=1S/C22H18BrClN4O3S/c1-2-19-27-28-20(25)17(21(29)26-22(28)32-19)12-13-11-15(24)5-8-18(13)31-10-9-30-16-6-3-14(23)4-7-16/h3-8,11-12,25H,2,9-10H2,1H3