6-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-pyrimidine-4-carboxamide

Systemtic Name: 6-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-pyrimidine-4-carboxamide Openeye Name: 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-pyrimidine-4-carboxamide CAS Name: 6-[[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]thio]-N-ethoxy-4-pyrimidinecarboxamide IUPAC Name: 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide Traditional Name: 6-[[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thio]-N-ethoxy-pyrimidine-4-carboxamide Formula: C21H17ClF3N5O3S MolecularWeight: 511.90459

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C1=CC(=NC=N1)SC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCONC(=O)C1=CC(=NC=N1)SC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H17ClF3N5O3S/c1-2-33-30-19(31)17-10-18(27-11-26-17)34-14-6-3-12(4-7-14)28-20(32)29-13-5-8-16(22)15(9-13)21(23,24)25/h3-11H,2H2,1H3,(H,30,31)(H2,28,29,32)