3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclopropyl-propanamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclopropyl-propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclopropyl-propanamide CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-cyclopropylpropanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclopropylpropanamide Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-cyclopropyl-propionamide Formula: C18H16F3N3O3S MolecularWeight: 411.39815

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16F3N3O3S/c19-18(20,21)15-8-12(10-1-4-13-14(7-10)27-9-26-13)23-17(24-15)28-6-5-16(25)22-11-2-3-11/h1,4,7-8,11H,2-3,5-6,9H2,(H,22,25)