N-[[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]thiocarbamoyl]nicotinamide Formula: C17H13FN6O2S MolecularWeight: 384.387523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC(=S)NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC(=S)NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FN6O2S/c18-12-5-3-10(4-6-12)13-8-14(22-21-13)16(26)23-24-17(27)20-15(25)11-2-1-7-19-9-11/h1-9H,(H,21,22)(H,23,26)(H2,20,24,25,27)