2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-azanyl-3-(2-pyridin-4-ylcarbonylhydrazinyl)prop-2-enoate

Systemtic Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-azanyl-3-(2-pyridin-4-ylcarbonylhydrazinyl)prop-2-enoate Openeye Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-amino-3-[2-(pyridine-4-carbonyl)hydrazino]prop-2-enoate CAS Name: 3-amino-3-[[oxo(pyridin-4-yl)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-4-carbonyl)hydrazinyl]prop-2-enoate Traditional Name: 3-amino-3-(N'-isonicotinoylhydrazino)acrylic acid 2-[2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl]ethyl ester Formula: C28H26N8O3S MolecularWeight: 554.62284

Click to see the large picture

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=CC=NC=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=CC=NC=C4

InChI

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