N-(1-phenylbutyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-phenylbutyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-phenylbutyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(1-phenylbutyl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(1-phenylbutyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(1-phenylbutyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C18H20F3N3OS MolecularWeight: 383.43111

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C18H20F3N3OS/c1-3-7-14(13-8-5-4-6-9-13)23-16(25)12(2)26-17-22-11-10-15(24-17)18(19,20)21/h4-6,8-12,14H,3,7H2,1-2H3,(H,23,25)