1-[3-cyano-4-[6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-phenyl]-3-ethyl-urea

Systemtic Name: 1-[3-cyano-4-[6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-phenyl]-3-ethyl-urea Openeye Name: 1-[3-cyano-4-[6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-phenyl]-3-ethyl-urea CAS Name: 1-[3-cyano-4-[[6-(trifluoromethyl)-4-pyrimidinyl]thio]phenyl]-3-ethylurea IUPAC Name: 1-[3-cyano-4-[6-(trifluoromethyl)pyrimidin-4-yl]sulfanylphenyl]-3-ethylurea Traditional Name: 1-[3-cyano-4-[[6-(trifluoromethyl)pyrimidin-4-yl]thio]phenyl]-3-ethyl-urea Formula: C15H12F3N5OS MolecularWeight: 367.34889

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC(=C(C=C1)SC2=NC=NC(=C2)C(F)(F)F)C#N

Isomeric SMILES

CCNC(=O)NC1=CC(=C(C=C1)SC2=NC=NC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C15H12F3N5OS/c1-2-20-14(24)23-10-3-4-11(9(5-10)7-19)25-13-6-12(15(16,17)18)21-8-22-13/h3-6,8H,2H2,1H3,(H2,20,23,24)