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(2R)-2-(1H-perimidin-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]propanamide

(2R)-2-(1H-perimidin-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]propanamide

Systemtic Name:(2R)-2-(1H-perimidin-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]propanamide
Openeye Name:(2R)-2-(1H-perimidin-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CAS Name:(2R)-2-(1H-perimidin-2-ylthio)-N-[4-(trifluoromethyl)phenyl]propanamide
IUPAC Name:(2R)-2-(1H-perimidin-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]propanamide
Traditional Name:(2R)-2-(1H-perimidin-2-ylthio)-N-[4-(trifluoromethyl)phenyl]propionamide
Formula: C21H16F3N3OS
MolecularWeight: 415.43145
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)SC2=NC3=CC=CC4=C3C(=CC=C4)N2


Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)SC2=NC3=CC=CC4=C3C(=CC=C4)N2


InChI

InChI=1S/C21H16F3N3OS/c1-12(19(28)25-15-10-8-14(9-11-15)21(22,23)24)29-20-26-16-6-2-4-13-5-3-7-17(27-20)18(13)16/h2-12H,1H3,(H,25,28)(H,26,27)/t12-/m1/s1


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