N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide CAS Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(pyrazin-2-ylthio)methyl]benzamide Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=CN=C3)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=CN=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O2S/c1-28-17-9-15(20(21,22)23)8-16(10-17)26-19(27)14-4-2-3-13(7-14)12-29-18-11-24-5-6-25-18/h2-11H,12H2,1H3,(H,26,27)