N-isoquinolin-5-yl-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-isoquinolin-5-yl-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(5-isoquinolyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide CAS Name: N-(5-isoquinolinyl)-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-isoquinolin-5-yl-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(5-isoquinolyl)-3-[(pyrazin-2-ylthio)methyl]benzamide Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=CN=C2)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=CN=C2)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H16N4OS/c26-21(25-19-6-2-5-17-12-22-8-7-18(17)19)16-4-1-3-15(11-16)14-27-20-13-23-9-10-24-20/h1-13H,14H2,(H,25,26)