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

Systemtic Name: 2-[1-[2-(4-butylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile Openeye Name: 2-[1-[2-(4-butylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile CAS Name: 2-[1-[2-(4-butylsulfonylphenyl)ethyl]-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-[1-[2-(4-butylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Traditional Name: 2-[1-[2-(4-butylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-2-3-16-27(25,26)19-8-4-17(5-9-19)6-10-20-21-11-7-18(12-13-22)24(21)15-14-23-20/h4-5,7-9,11,14-15H,2-3,6,10,12,16H2,1H3