N-cyclopropyl-4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-4-[[[4-(dimethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzamide Formula: C18H19F3N4OS MolecularWeight: 396.42987

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)C(F)(F)F)SCC2=CC=C(C=C2)C(=O)NC3CC3

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)C(F)(F)F)SCC2=CC=C(C=C2)C(=O)NC3CC3

InChI

InChI=1S/C18H19F3N4OS/c1-25(2)15-9-14(18(19,20)21)23-17(24-15)27-10-11-3-5-12(6-4-11)16(26)22-13-7-8-13/h3-6,9,13H,7-8,10H2,1-2H3,(H,22,26)