3-(4-chlorophenyl)-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C21H16ClN5O2S MolecularWeight: 437.90204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NSC(=N1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CC1=NSC(=N1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN5O2S/c1-13(28)11-18-23-21(30-26-18)24-20(29)17-12-27(16-5-3-2-4-6-16)25-19(17)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,24,26,29)