ethyl N-[5-azanyl-1-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl]pyrazol-4-yl]carbonylethanehydrazonate

Systemtic Name: ethyl N-[5-azanyl-1-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl]pyrazol-4-yl]carbonylethanehydrazonate Openeye Name: ethyl N-[5-amino-1-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl]pyrazole-4-carbonyl]ethanehydrazonate CAS Name: N-[[5-amino-1-[[2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl]methyl]-4-pyrazolyl]-oxomethyl]ethanehydrazonic acid ethyl ester IUPAC Name: ethyl N-[5-amino-1-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl]pyrazole-4-carbonyl]ethanehydrazonate Traditional Name: N-[5-amino-1-[2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]benzyl]pyrazole-4-carbonyl]acetohydrazonic acid ethyl ester Formula: C26H27N9O2S MolecularWeight: 529.61668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=NNC(=O)C1=C(N(N=C1)CC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N)C

Isomeric SMILES

CCOC(=NNC(=O)C1=C(N(N=C1)CC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N)C

InChI

InChI=1S/C26H27N9O2S/c1-3-37-17(2)31-34-25(36)20-15-28-35(24(20)27)16-19-11-7-8-12-21(19)29-26(38)30-23-14-13-22(32-33-23)18-9-5-4-6-10-18/h4-15H,3,16,27H2,1-2H3,(H,34,36)(H2,29,30,33,38)