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

Systemtic Name: 3-(3-bromophenyl)-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-(3-bromophenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(3-bromophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(3-bromophenyl)-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-(3-bromophenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C21H16BrN5O2S MolecularWeight: 482.35304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN5O2S/c1-13(28)10-18-23-21(30-26-18)24-20(29)17-12-27(16-8-3-2-4-9-16)25-19(17)14-6-5-7-15(22)11-14/h2-9,11-12H,10H2,1H3,(H,23,24,26,29)