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

Systemtic Name: [6-(cyanomethyl)-7-methylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate Openeye Name: [6-(cyanomethyl)-7-methylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate CAS Name: thiocyanic acid [6-(cyanomethyl)-7-(methylthio)-1-phenethyl-8-pyrrolo[1,2-a]pyrazinyl] ester IUPAC Name: [6-(cyanomethyl)-7-methylsulfanyl-1-phenethylpyrrolo[1,2-a]pyrazin-8-yl] thiocyanate Traditional Name: thiocyanic acid [6-(cyanomethyl)-7-(methylthio)-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] ester Formula: C19H16N4S2 MolecularWeight: 364.48714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2C=CN=C(C2=C1SC#N)CCC3=CC=CC=C3)CC#N

Isomeric SMILES

CSC1=C(N2C=CN=C(C2=C1SC#N)CCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C19H16N4S2/c1-24-18-16(9-10-20)23-12-11-22-15(17(23)19(18)25-13-21)8-7-14-5-3-2-4-6-14/h2-6,11-12H,7-9H2,1H3