N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(pyrazin-2-ylthio)methyl]benzamide Formula: C20H13F3N4OS MolecularWeight: 414.40363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=CN=C2)C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=CN=C2)C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C20H13F3N4OS/c21-20(22,23)17-9-16(5-4-15(17)10-24)27-19(28)14-3-1-2-13(8-14)12-29-18-11-25-6-7-26-18/h1-9,11H,12H2,(H,27,28)