2-[1-(4-chlorophenyl)-8-methylsulfanyl-pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile

Systemtic Name: 2-[1-(4-chlorophenyl)-8-methylsulfanyl-pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile Openeye Name: 2-[1-(4-chlorophenyl)-8-methylsulfanyl-pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile CAS Name: 2-[1-(4-chlorophenyl)-8-(methylthio)-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-[1-(4-chlorophenyl)-8-methylsulfanylpyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Traditional Name: 2-[1-(4-chlorophenyl)-8-(methylthio)pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C16H12ClN3S MolecularWeight: 313.80458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3S/c1-21-14-10-13(6-7-18)20-9-8-19-15(16(14)20)11-2-4-12(17)5-3-11/h2-5,8-10H,6H2,1H3