[6-(cyanomethyl)-1-(4-methylphenyl)pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate

Systemtic Name: [6-(cyanomethyl)-1-(4-methylphenyl)pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate Openeye Name: [6-(cyanomethyl)-1-(p-tolyl)pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate CAS Name: thiocyanic acid [6-(cyanomethyl)-1-(4-methylphenyl)-8-pyrrolo[1,2-a]pyrazinyl] ester IUPAC Name: [6-(cyanomethyl)-1-(4-methylphenyl)pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate Traditional Name: thiocyanic acid [6-(cyanomethyl)-1-(p-tolyl)pyrrolo[1,2-a]pyrazin-8-yl] ester Formula: C17H12N4S MolecularWeight: 304.36898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=CN3C2=C(C=C3CC#N)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=CN3C2=C(C=C3CC#N)SC#N

InChI

InChI=1S/C17H12N4S/c1-12-2-4-13(5-3-12)16-17-15(22-11-19)10-14(6-7-18)21(17)9-8-20-16/h2-5,8-10H,6H2,1H3