3-(4-methoxyphenyl)-1-phenyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]pyrazole-4-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-1-phenyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]pyrazole-4-carboxamide Openeye Name: 3-(4-methoxyphenyl)-1-phenyl-N-[(pyridine-4-carbonylamino)carbamothioyl]pyrazole-4-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-1-phenyl-N-[(pyridine-4-carbonylamino)carbamothioyl]pyrazole-4-carboxamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C24H20N6O3S MolecularWeight: 472.519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N6O3S/c1-33-19-9-7-16(8-10-19)21-20(15-30(29-21)18-5-3-2-4-6-18)23(32)26-24(34)28-27-22(31)17-11-13-25-14-12-17/h2-15H,1H3,(H,27,31)(H2,26,28,32,34)