2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[4-[3-(2,4-dichlorophenyl)isoxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[4-[3-(2,4-dichlorophenyl)-5-isoxazolyl]-2-pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[4-[3-(2,4-dichlorophenyl)isoxazol-5-yl]pyrimidin-2-yl]thio]-N-phenyl-acetamide Formula: C21H14Cl2N4O2S MolecularWeight: 457.33246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C3=CC(=NO3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C3=CC(=NO3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N4O2S/c22-13-6-7-15(16(23)10-13)18-11-19(29-27-18)17-8-9-24-21(26-17)30-12-20(28)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,28)