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

Systemtic Name: 2-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[4-[3-(4-chlorophenyl)isoxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[4-[3-(4-chlorophenyl)-5-isoxazolyl]-2-pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[4-[3-(4-chlorophenyl)isoxazol-5-yl]pyrimidin-2-yl]thio]-N-phenyl-acetamide Formula: C21H15ClN4O2S MolecularWeight: 422.8874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O2S/c22-15-8-6-14(7-9-15)18-12-19(28-26-18)17-10-11-23-21(25-17)29-13-20(27)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,27)