1-but-3-yn-2-yl-3-[4-[2-cyano-6-(trifluoromethyl)pyridin-4-yl]sulfanylphenyl]urea

Systemtic Name: 1-but-3-yn-2-yl-3-[4-[2-cyano-6-(trifluoromethyl)pyridin-4-yl]sulfanylphenyl]urea Openeye Name: 1-[4-[[2-cyano-6-(trifluoromethyl)-4-pyridyl]sulfanyl]phenyl]-3-(1-methylprop-2-ynyl)urea CAS Name: 1-but-3-yn-2-yl-3-[4-[[2-cyano-6-(trifluoromethyl)-4-pyridinyl]thio]phenyl]urea IUPAC Name: 1-but-3-yn-2-yl-3-[4-[2-cyano-6-(trifluoromethyl)pyridin-4-yl]sulfanylphenyl]urea Traditional Name: 1-[4-[[2-cyano-6-(trifluoromethyl)-4-pyridyl]thio]phenyl]-3-(1-methylprop-2-ynyl)urea Formula: C18H13F3N4OS MolecularWeight: 390.38223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N4OS/c1-3-11(2)23-17(26)25-12-4-6-14(7-5-12)27-15-8-13(10-22)24-16(9-15)18(19,20)21/h1,4-9,11H,2H3,(H2,23,25,26)