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

Systemtic Name: [6-(cyanomethyl)-7-ethylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate Openeye Name: [6-(cyanomethyl)-7-ethylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate CAS Name: thiocyanic acid [6-(cyanomethyl)-7-(ethylthio)-1-phenethyl-8-pyrrolo[1,2-a]pyrazinyl] ester IUPAC Name: [6-(cyanomethyl)-7-ethylsulfanyl-1-phenethylpyrrolo[1,2-a]pyrazin-8-yl] thiocyanate Traditional Name: thiocyanic acid [6-(cyanomethyl)-7-(ethylthio)-1-phenethyl-pyrrolo[1,2-a]pyrazin-8-yl] ester Formula: C20H18N4S2 MolecularWeight: 378.51372

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C=CN=C(C2=C1SC#N)CCC3=CC=CC=C3)CC#N

Isomeric SMILES

CCSC1=C(N2C=CN=C(C2=C1SC#N)CCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C20H18N4S2/c1-2-25-19-17(10-11-21)24-13-12-23-16(18(24)20(19)26-14-22)9-8-15-6-4-3-5-7-15/h3-7,12-13H,2,8-10H2,1H3