N-(methylcarbamothioyl)-1,5-diphenyl-4-(phenylcarbonyl)pyrazole-3-carboxamide

Systemtic Name: N-(methylcarbamothioyl)-1,5-diphenyl-4-(phenylcarbonyl)pyrazole-3-carboxamide Openeye Name: 4-benzoyl-N-(methylcarbamothioyl)-1,5-diphenyl-pyrazole-3-carboxamide CAS Name: 4-benzoyl-N-[methylamino(sulfanylidene)methyl]-1,5-diphenyl-3-pyrazolecarboxamide IUPAC Name: 4-benzoyl-N-(methylcarbamothioyl)-1,5-diphenylpyrazole-3-carboxamide Traditional Name: 4-benzoyl-N-(methylthiocarbamoyl)-1,5-diphenyl-pyrazole-3-carboxamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CNC(=S)NC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O2S/c1-26-25(32)27-24(31)21-20(23(30)18-13-7-3-8-14-18)22(17-11-5-2-6-12-17)29(28-21)19-15-9-4-10-16-19/h2-16H,1H3,(H2,26,27,31,32)