2-(8-methylsulfanyl-1-phenylmethoxy-pyrrolo[1,2-a]pyrazin-6-yl)ethanenitrile

Systemtic Name: 2-(8-methylsulfanyl-1-phenylmethoxy-pyrrolo[1,2-a]pyrazin-6-yl)ethanenitrile Openeye Name: 2-(1-benzyloxy-8-methylsulfanyl-pyrrolo[1,2-a]pyrazin-6-yl)acetonitrile CAS Name: 2-[8-(methylthio)-1-phenylmethoxy-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-(8-methylsulfanyl-1-phenylmethoxypyrrolo[1,2-a]pyrazin-6-yl)acetonitrile Traditional Name: 2-[1-benzoxy-8-(methylthio)pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=NC=CN2C(=C1)CC#N)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=C2C(=NC=CN2C(=C1)CC#N)OCC3=CC=CC=C3

InChI

InChI=1S/C17H15N3OS/c1-22-15-11-14(7-8-18)20-10-9-19-17(16(15)20)21-12-13-5-3-2-4-6-13/h2-6,9-11H,7,12H2,1H3