1-butyl-3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1-methylsulfonyl-urea

Systemtic Name: 1-butyl-3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1-methylsulfonyl-urea Openeye Name: 1-butyl-3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]carbamoyl]-1-methylsulfonyl-urea CAS Name: 1-butyl-3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-oxomethyl]-1-methylsulfonylurea IUPAC Name: 1-butyl-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1-methylsulfonylurea Traditional Name: 1-butyl-3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]carbamoyl]-1-mesyl-urea Formula: C13H16ClF3N4O4S MolecularWeight: 416.80375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)NC(=O)NC1=C(C=C(C=N1)C(F)(F)F)Cl)S(=O)(=O)C

Isomeric SMILES

CCCCN(C(=O)NC(=O)NC1=C(C=C(C=N1)C(F)(F)F)Cl)S(=O)(=O)C

InChI

InChI=1S/C13H16ClF3N4O4S/c1-3-4-5-21(26(2,24)25)12(23)20-11(22)19-10-9(14)6-8(7-18-10)13(15,16)17/h6-7H,3-5H2,1-2H3,(H2,18,19,20,22,23)