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

Systemtic Name: 2-(8-ethylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)ethanenitrile Openeye Name: 2-(8-ethylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)acetonitrile CAS Name: 2-[8-(ethylthio)-1-phenethyl-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-(8-ethylsulfanyl-1-phenethylpyrrolo[1,2-a]pyrazin-6-yl)acetonitrile Traditional Name: 2-[8-(ethylthio)-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C19H19N3S MolecularWeight: 321.43926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C2C(=NC=CN2C(=C1)CC#N)CCC3=CC=CC=C3

Isomeric SMILES

CCSC1=C2C(=NC=CN2C(=C1)CC#N)CCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3S/c1-2-23-18-14-16(10-11-20)22-13-12-21-17(19(18)22)9-8-15-6-4-3-5-7-15/h3-7,12-14H,2,8-10H2,1H3