N-pyridin-3-yl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholine-4-carbothioamide

Systemtic Name: N-pyridin-3-yl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholine-4-carbothioamide Openeye Name: N-(3-pyridyl)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholine-4-carbothioamide CAS Name: N-(3-pyridinyl)-2-[[2-(trifluoromethyl)-4-pyrimidinyl]oxymethyl]-4-morpholinecarbothioamide IUPAC Name: N-pyridin-3-yl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholine-4-carbothioamide Traditional Name: N-(3-pyridyl)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholine-4-carbothioamide Formula: C16H16F3N5O2S MolecularWeight: 399.39075

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NC2=CN=CC=C2)COC3=NC(=NC=C3)C(F)(F)F

Isomeric SMILES

C1COC(CN1C(=S)NC2=CN=CC=C2)COC3=NC(=NC=C3)C(F)(F)F

InChI

InChI=1S/C16H16F3N5O2S/c17-16(18,19)14-21-5-3-13(23-14)26-10-12-9-24(6-7-25-12)15(27)22-11-2-1-4-20-8-11/h1-5,8,12H,6-7,9-10H2,(H,22,27)