2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-azanyl-3-(2-pyridin-3-ylcarbonylhydrazinyl)prop-2-enoate

Systemtic Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-azanyl-3-(2-pyridin-3-ylcarbonylhydrazinyl)prop-2-enoate Openeye Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-amino-3-[2-(pyridine-3-carbonyl)hydrazino]prop-2-enoate CAS Name: 3-amino-3-[[oxo(3-pyridinyl)methyl]hydrazo]-2-propenoic acid 2-[2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl]ethyl ester IUPAC Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-amino-3-[2-(pyridine-3-carbonyl)hydrazinyl]prop-2-enoate Traditional Name: 3-amino-3-(N'-nicotinoylhydrazino)acrylic acid 2-[2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl]ethyl ester Formula: C28H26N8O3S MolecularWeight: 554.62284

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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=C3CCOC(=O)C=C(N)NNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CCOC(=O)C=C(N)NNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C28H26N8O3S/c29-24(34-36-27(38)21-10-6-15-30-18-21)17-26(37)39-16-14-20-9-4-5-11-22(20)31-28(40)32-25-13-12-23(33-35-25)19-7-2-1-3-8-19/h1-13,15,17-18,34H,14,16,29H2,(H,36,38)(H2,31,32,35,40)