3-[(4-bromophenyl)methylsulfonyl]-1-ethyl-pyrazin-2-one

Systemtic Name: 3-[(4-bromophenyl)methylsulfonyl]-1-ethyl-pyrazin-2-one Openeye Name: 3-[(4-bromophenyl)methylsulfonyl]-1-ethyl-pyrazin-2-one CAS Name: 3-[(4-bromophenyl)methylsulfonyl]-1-ethyl-2-pyrazinone IUPAC Name: 3-[(4-bromophenyl)methylsulfonyl]-1-ethylpyrazin-2-one Traditional Name: 3-(4-bromobenzyl)sulfonyl-1-ethyl-pyrazin-2-one Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C(C1=O)S(=O)(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCN1C=CN=C(C1=O)S(=O)(=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrN2O3S/c1-2-16-8-7-15-12(13(16)17)20(18,19)9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3