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

Systemtic Name: 2-(8-methylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)ethanenitrile Openeye Name: 2-(8-methylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)acetonitrile CAS Name: 2-[8-(methylthio)-1-phenethyl-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-(8-methylsulfanyl-1-phenethylpyrrolo[1,2-a]pyrazin-6-yl)acetonitrile Traditional Name: 2-[8-(methylthio)-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C18H17N3S MolecularWeight: 307.41268

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=NC=CN2C(=C1)CC#N)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=C2C(=NC=CN2C(=C1)CC#N)CCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3S/c1-22-17-13-15(9-10-19)21-12-11-20-16(18(17)21)8-7-14-5-3-2-4-6-14/h2-6,11-13H,7-9H2,1H3