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

Systemtic Name: N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-1,3-diphenyl-pyrazole-4-carboxamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O2S/c1-14(27)12-18-22-21(29-25-18)23-20(28)17-13-26(16-10-6-3-7-11-16)24-19(17)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3,(H,22,23,25,28)