S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) octadecanethioate

Systemtic Name: S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) octadecanethioate Openeye Name: S-(1-vinylpyrazolo[3,4-b]pyrazin-5-yl) octadecanethioate CAS Name: octadecanethioic acid S-(1-ethenyl-5-pyrazolo[3,4-b]pyrazinyl) ester IUPAC Name: S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) octadecanethioate Traditional Name: octadecanethioic acid S-(1-vinylpyrazolo[3,4-b]pyrazin-5-yl) ester Formula: C25H40N4OS MolecularWeight: 444.6763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)SC1=CN=C2C(=N1)C=NN2C=C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)SC1=CN=C2C(=N1)C=NN2C=C

InChI

InChI=1S/C25H40N4OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(30)31-23-21-26-25-22(28-23)20-27-29(25)4-2/h4,20-21H,2-3,5-19H2,1H3