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

Systemtic Name: [6-(cyanomethyl)-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate Openeye Name: [6-(cyanomethyl)-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate CAS Name: thiocyanic acid [6-(cyanomethyl)-1-phenethyl-8-pyrrolo[1,2-a]pyrazinyl] ester IUPAC Name: [6-(cyanomethyl)-1-phenethylpyrrolo[1,2-a]pyrazin-8-yl] thiocyanate Traditional Name: thiocyanic acid [6-(cyanomethyl)-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] ester Formula: C18H14N4S MolecularWeight: 318.39556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC=CN3C2=C(C=C3CC#N)SC#N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC=CN3C2=C(C=C3CC#N)SC#N

InChI

InChI=1S/C18H14N4S/c19-9-8-15-12-17(23-13-20)18-16(21-10-11-22(15)18)7-6-14-4-2-1-3-5-14/h1-5,10-12H,6-8H2