1-[(E)-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-1-methyl-3-[4-(trifluoromethyloxy)phenyl]urea hydrate

Systemtic Name: 1-[(E)-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-1-methyl-3-[4-(trifluoromethyloxy)phenyl]urea hydrate Openeye Name: 1-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyleneamino]-1-methyl-3-[4-(trifluoromethoxy)phenyl]urea hydrate CAS Name: 1-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]-1-methyl-3-[4-(trifluoromethoxy)phenyl]urea hydrate IUPAC Name: 1-[(E)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-1-methyl-3-[4-(trifluoromethoxy)phenyl]urea hydrate Traditional Name: 1-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyleneamino]-1-methyl-3-[4-(trifluoromethoxy)phenyl]urea hydrate Formula: C16H13ClF6N4O3 MolecularWeight: 458.742839

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)N=CC2=C(C=C(C=N2)C(F)(F)F)Cl.O

Isomeric SMILES

CN(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)/N=C/C2=C(C=C(C=N2)C(F)(F)F)Cl.O

InChI

InChI=1S/C16H11ClF6N4O2.H2O/c1-27(25-8-13-12(17)6-9(7-24-13)15(18,19)20)14(28)26-10-2-4-11(5-3-10)29-16(21,22)23;/h2-8H,1H3,(H,26,28);1H2/b25-8+;