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

Systemtic Name: [7-bromanyl-6-(cyanomethyl)-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate Openeye Name: [7-bromo-6-(cyanomethyl)-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate CAS Name: thiocyanic acid [7-bromo-6-(cyanomethyl)-1-phenethyl-8-pyrrolo[1,2-a]pyrazinyl] ester IUPAC Name: [7-bromo-6-(cyanomethyl)-1-phenethylpyrrolo[1,2-a]pyrazin-8-yl] thiocyanate Traditional Name: thiocyanic acid [7-bromo-6-(cyanomethyl)-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] ester Formula: C18H13BrN4S MolecularWeight: 397.29162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN4S/c19-16-15(8-9-20)23-11-10-22-14(17(23)18(16)24-12-21)7-6-13-4-2-1-3-5-13/h1-5,10-11H,6-8H2