2-[1-[2-(3-propylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile

Systemtic Name: 2-[1-[2-(3-propylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile Openeye Name: 2-[1-[2-(3-propylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile CAS Name: 2-[1-[2-(3-propylsulfonylphenyl)ethyl]-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-[1-[2-(3-propylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Traditional Name: 2-[1-[2-(3-propylsulfonylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-2-14-26(24,25)18-5-3-4-16(15-18)6-8-19-20-9-7-17(10-11-21)23(20)13-12-22-19/h3-5,7,9,12-13,15H,2,6,8,10,14H2,1H3