5-azanyl-3-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 5-azanyl-3-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-amino-3-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl]isoxazole-4-carboxamide CAS Name: 5-amino-3-[[2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl]methyl]-4-isoxazolecarboxamide IUPAC Name: 5-amino-3-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl]-1,2-oxazole-4-carboxamide Traditional Name: 5-amino-3-[2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]benzyl]isoxazole-4-carboxamide Formula: C22H19N7O2S MolecularWeight: 445.49696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CC4=NOC(=C4C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CC4=NOC(=C4C(=O)N)N

InChI

InChI=1S/C22H19N7O2S/c23-20(30)19-17(29-31-21(19)24)12-14-8-4-5-9-15(14)25-22(32)26-18-11-10-16(27-28-18)13-6-2-1-3-7-13/h1-11H,12,24H2,(H2,23,30)(H2,25,26,28,32)