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

Systemtic Name: 2-[1-[2-(4-methylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile Openeye Name: 2-[1-[2-(4-methylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile CAS Name: 2-[1-[2-(4-methylsulfonylphenyl)ethyl]-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-[1-[2-(4-methylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Traditional Name: 2-[1-[2-(4-mesylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CCC2=NC=CN3C2=CC=C3CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CCC2=NC=CN3C2=CC=C3CC#N

InChI

InChI=1S/C18H17N3O2S/c1-24(22,23)16-6-2-14(3-7-16)4-8-17-18-9-5-15(10-11-19)21(18)13-12-20-17/h2-3,5-7,9,12-13H,4,8,10H2,1H3