1-(6-bromanyl-5-chloranyl-3-pyrimidin-2-yl-1H-indol-2-yl)-2-methoxy-2-methylsulfanyl-ethanone

Systemtic Name: 1-(6-bromanyl-5-chloranyl-3-pyrimidin-2-yl-1H-indol-2-yl)-2-methoxy-2-methylsulfanyl-ethanone Openeye Name: 1-(6-bromo-5-chloro-3-pyrimidin-2-yl-1H-indol-2-yl)-2-methoxy-2-methylsulfanyl-ethanone CAS Name: 1-[6-bromo-5-chloro-3-(2-pyrimidinyl)-1H-indol-2-yl]-2-methoxy-2-(methylthio)ethanone IUPAC Name: 1-(6-bromo-5-chloro-3-pyrimidin-2-yl-1H-indol-2-yl)-2-methoxy-2-methylsulfanylethanone Traditional Name: 1-[6-bromo-5-chloro-3-(2-pyrimidyl)-1H-indol-2-yl]-2-methoxy-2-(methylthio)ethanone Formula: C16H13BrClN3O2S MolecularWeight: 426.71532

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)C1=C(C2=CC(=C(C=C2N1)Br)Cl)C3=NC=CC=N3)SC

Isomeric SMILES

COC(C(=O)C1=C(C2=CC(=C(C=C2N1)Br)Cl)C3=NC=CC=N3)SC

InChI

InChI=1S/C16H13BrClN3O2S/c1-23-16(24-2)14(22)13-12(15-19-4-3-5-20-15)8-6-10(18)9(17)7-11(8)21-13/h3-7,16,21H,1-2H3