1-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-3-phenyl-urea

Systemtic Name: 1-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-3-phenyl-urea Openeye Name: 1-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-3-phenyl-urea CAS Name: 1-[5-cyano-2-[[3-(trifluoromethyl)phenyl]thio]phenyl]-3-phenylurea IUPAC Name: 1-[5-cyano-2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-3-phenylurea Traditional Name: 1-[5-cyano-2-[[3-(trifluoromethyl)phenyl]thio]phenyl]-3-phenyl-urea Formula: C21H14F3N3OS MolecularWeight: 413.41557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C#N)SC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C#N)SC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H14F3N3OS/c22-21(23,24)15-5-4-8-17(12-15)29-19-10-9-14(13-25)11-18(19)27-20(28)26-16-6-2-1-3-7-16/h1-12H,(H2,26,27,28)