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

Systemtic Name: 2-(8-hexylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)ethanenitrile Openeye Name: 2-(8-hexylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)acetonitrile CAS Name: 2-[8-(hexylthio)-1-phenethyl-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-(8-hexylsulfanyl-1-phenethylpyrrolo[1,2-a]pyrazin-6-yl)acetonitrile Traditional Name: 2-[8-(hexylthio)-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C23H27N3S MolecularWeight: 377.54558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C2C(=NC=CN2C(=C1)CC#N)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCCSC1=C2C(=NC=CN2C(=C1)CC#N)CCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3S/c1-2-3-4-8-17-27-22-18-20(13-14-24)26-16-15-25-21(23(22)26)12-11-19-9-6-5-7-10-19/h5-7,9-10,15-16,18H,2-4,8,11-13,17H2,1H3