2-[2-(3-chloranyl-4-ethoxy-phenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanenitrile

Systemtic Name: 2-[2-(3-chloranyl-4-ethoxy-phenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanenitrile Openeye Name: 2-[2-(3-chloro-4-ethoxy-phenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetonitrile CAS Name: 2-[[2-(3-chloro-4-ethoxyphenyl)-4-pyrazolo[1,5-a]pyrazinyl]thio]acetonitrile IUPAC Name: 2-[2-(3-chloro-4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetonitrile Traditional Name: 2-[[2-(3-chloro-4-ethoxy-phenyl)pyrazolo[1,5-a]pyrazin-4-yl]thio]acetonitrile Formula: C16H13ClN4OS MolecularWeight: 344.81862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN3C=CN=C(C3=C2)SCC#N)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN3C=CN=C(C3=C2)SCC#N)Cl

InChI

InChI=1S/C16H13ClN4OS/c1-2-22-15-4-3-11(9-12(15)17)13-10-14-16(23-8-5-18)19-6-7-21(14)20-13/h3-4,6-7,9-10H,2,8H2,1H3