1-(4-bromophenyl)-2-(3,6-dimethylpyrazin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-(3,6-dimethylpyrazin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-(3,6-dimethylpyrazin-2-yl)sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[(3,6-dimethyl-2-pyrazinyl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-(3,6-dimethylpyrazin-2-yl)sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[(3,6-dimethylpyrazin-2-yl)thio]ethanone Formula: C14H13BrN2OS MolecularWeight: 337.23482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)SCC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CN=C(C(=N1)SCC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C14H13BrN2OS/c1-9-7-16-10(2)14(17-9)19-8-13(18)11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3