2-[1-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile

Systemtic Name: 2-[1-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile Openeye Name: 2-[1-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile CAS Name: 2-[1-(4-methylsulfonylphenyl)-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-[1-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Traditional Name: 2-[1-(4-mesylphenyl)pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC=CN3C2=CC=C3CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC=CN3C2=CC=C3CC#N

InChI

InChI=1S/C16H13N3O2S/c1-22(20,21)14-5-2-12(3-6-14)16-15-7-4-13(8-9-17)19(15)11-10-18-16/h2-7,10-11H,8H2,1H3