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

Systemtic Name: 3-(4-methylphenyl)-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)-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: 3-(4-methylphenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-methylphenyl)-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)-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC(=NS3)CC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC(=NS3)CC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2S/c1-14-8-10-16(11-9-14)20-18(13-27(25-20)17-6-4-3-5-7-17)21(29)24-22-23-19(26-30-22)12-15(2)28/h3-11,13H,12H2,1-2H3,(H,23,24,26,29)