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

Systemtic Name: 2-[1-(phenylmethylsulfanyl)pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile Openeye Name: 2-(1-benzylsulfanylpyrrolo[1,2-a]pyrazin-6-yl)acetonitrile CAS Name: 2-[1-(phenylmethylthio)-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-(1-benzylsulfanylpyrrolo[1,2-a]pyrazin-6-yl)acetonitrile Traditional Name: 2-[1-(benzylthio)pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C16H13N3S MolecularWeight: 279.35952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=CN3C2=CC=C3CC#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=CN3C2=CC=C3CC#N

InChI

InChI=1S/C16H13N3S/c17-9-8-14-6-7-15-16(18-10-11-19(14)15)20-12-13-4-2-1-3-5-13/h1-7,10-11H,8,12H2