1,3-diphenyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]pyrazole-4-carboxamide

Systemtic Name: 1,3-diphenyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]pyrazole-4-carboxamide Openeye Name: 1,3-diphenyl-N-[(pyridine-4-carbonylamino)carbamothioyl]pyrazole-4-carboxamide CAS Name: N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: 1,3-diphenyl-N-[(pyridine-4-carbonylamino)carbamothioyl]pyrazole-4-carboxamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-1,3-diphenyl-pyrazole-4-carboxamide Formula: C23H18N6O2S MolecularWeight: 442.49302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H18N6O2S/c30-21(17-11-13-24-14-12-17)26-27-23(32)25-22(31)19-15-29(18-9-5-2-6-10-18)28-20(19)16-7-3-1-4-8-16/h1-15H,(H,26,30)(H2,25,27,31,32)