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

Systemtic Name: 1-[3-cyano-4-[6-(trifluoromethyl)pyridin-3-yl]sulfanyl-phenyl]-3-ethyl-urea Openeye Name: 1-[3-cyano-4-[[6-(trifluoromethyl)-3-pyridyl]sulfanyl]phenyl]-3-ethyl-urea CAS Name: 1-[3-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]thio]phenyl]-3-ethylurea IUPAC Name: 1-[3-cyano-4-[6-(trifluoromethyl)pyridin-3-yl]sulfanylphenyl]-3-ethylurea Traditional Name: 1-[3-cyano-4-[[6-(trifluoromethyl)-3-pyridyl]thio]phenyl]-3-ethyl-urea Formula: C16H13F3N4OS MolecularWeight: 366.36083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N4OS/c1-2-21-15(24)23-11-3-5-13(10(7-11)8-20)25-12-4-6-14(22-9-12)16(17,18)19/h3-7,9H,2H2,1H3,(H2,21,23,24)