N-cyclopropyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxamide

Systemtic Name: N-cyclopropyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxamide Openeye Name: N-cyclopropyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxamide CAS Name: N-cyclopropyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]thio]-5-pyrimidinecarboxamide IUPAC Name: N-cyclopropyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide Traditional Name: N-cyclopropyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]thio]pyrimidine-5-carboxamide Formula: C21H16F3N3OS MolecularWeight: 415.43145

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CN=C(N=C2SC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=CN=C(N=C2SC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H16F3N3OS/c22-21(23,24)14-7-4-8-16(11-14)29-20-17(19(28)26-15-9-10-15)12-25-18(27-20)13-5-2-1-3-6-13/h1-8,11-12,15H,9-10H2,(H,26,28)