[1-(phenylmethyl)pyrazolo[3,4-b]pyrazin-5-yl] thiocyanate

Systemtic Name: [1-(phenylmethyl)pyrazolo[3,4-b]pyrazin-5-yl] thiocyanate Openeye Name: (1-benzylpyrazolo[3,4-b]pyrazin-5-yl) thiocyanate CAS Name: thiocyanic acid [1-(phenylmethyl)-5-pyrazolo[3,4-b]pyrazinyl] ester IUPAC Name: (1-benzylpyrazolo[3,4-b]pyrazin-5-yl) thiocyanate Traditional Name: thiocyanic acid (1-benzylpyrazolo[3,4-b]pyrazin-5-yl) ester Formula: C13H9N5S MolecularWeight: 267.30906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC=C(N=C3C=N2)SC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC=C(N=C3C=N2)SC#N

InChI

InChI=1S/C13H9N5S/c14-9-19-12-7-15-13-11(17-12)6-16-18(13)8-10-4-2-1-3-5-10/h1-7H,8H2