2-[3-(2-chlorophenyl)-6-phenyl-pyrazin-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone hydrobromide

Systemtic Name: 2-[3-(2-chlorophenyl)-6-phenyl-pyrazin-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone hydrobromide Openeye Name: 2-[3-(2-chlorophenyl)-6-phenyl-pyrazin-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone hydrobromide CAS Name: 2-[[3-(2-chlorophenyl)-6-phenyl-2-pyrazinyl]thio]-1-(4-methoxyphenyl)ethanone hydrobromide IUPAC Name: 2-[3-(2-chlorophenyl)-6-phenylpyrazin-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone hydrobromide Traditional Name: 2-[[3-(2-chlorophenyl)-6-phenyl-pyrazin-2-yl]thio]-1-(4-methoxyphenyl)ethanone hydrobromide Formula: C25H20BrClN2O2S MolecularWeight: 527.8605

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC(=CN=C2C3=CC=CC=C3Cl)C4=CC=CC=C4.Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC(=CN=C2C3=CC=CC=C3Cl)C4=CC=CC=C4.Br

InChI

InChI=1S/C25H19ClN2O2S.BrH/c1-30-19-13-11-18(12-14-19)23(29)16-31-25-24(20-9-5-6-10-21(20)26)27-15-22(28-25)17-7-3-2-4-8-17;/h2-15H,16H2,1H3;1H