1-[4-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[3-[3-(2-pyrazinyl)phenyl]-1-pyrazolyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]-2-thienyl]ethanone Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CN2C=CC(=N2)C3=CC(=CC=C3)C4=NC=CN=C4

Isomeric SMILES

CC(=O)C1=CC(=CS1)CN2C=CC(=N2)C3=CC(=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C20H16N4OS/c1-14(25)20-9-15(13-26-20)12-24-8-5-18(23-24)16-3-2-4-17(10-16)19-11-21-6-7-22-19/h2-11,13H,12H2,1H3