2-[7-bromanyl-1-(phenylmethylsulfanyl)-8-propylsulfanyl-pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile

Systemtic Name: 2-[7-bromanyl-1-(phenylmethylsulfanyl)-8-propylsulfanyl-pyrrolo[1,2-a]pyrazin-6-yl]ethanenitrile Openeye Name: 2-(1-benzylsulfanyl-7-bromo-8-propylsulfanyl-pyrrolo[1,2-a]pyrazin-6-yl)acetonitrile CAS Name: 2-[7-bromo-1-(phenylmethylthio)-8-(propylthio)-6-pyrrolo[1,2-a]pyrazinyl]acetonitrile IUPAC Name: 2-(1-benzylsulfanyl-7-bromo-8-propylsulfanylpyrrolo[1,2-a]pyrazin-6-yl)acetonitrile Traditional Name: 2-[1-(benzylthio)-7-bromo-8-(propylthio)pyrrolo[1,2-a]pyrazin-6-yl]acetonitrile Formula: C19H18BrN3S2 MolecularWeight: 432.40032

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2C(=NC=CN2C(=C1Br)CC#N)SCC3=CC=CC=C3

Isomeric SMILES

CCCSC1=C2C(=NC=CN2C(=C1Br)CC#N)SCC3=CC=CC=C3

InChI

InChI=1S/C19H18BrN3S2/c1-2-12-24-18-16(20)15(8-9-21)23-11-10-22-19(17(18)23)25-13-14-6-4-3-5-7-14/h3-7,10-11H,2,8,12-13H2,1H3