[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(3-nitrophenyl)propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(3-nitrophenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(3-nitrophenyl)propanoate CAS Name: 3-amino-3-(3-nitrophenyl)propanoic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(3-nitrophenyl)propanoate Traditional Name: 3-amino-3-(3-nitrophenyl)propionic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C26H22N6O4S MolecularWeight: 514.55568

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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=C3OC(=O)CC(C4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3OC(=O)CC(C4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C26H22N6O4S/c27-20(18-9-6-10-19(15-18)32(34)35)16-25(33)36-23-12-5-4-11-22(23)28-26(37)29-24-14-13-21(30-31-24)17-7-2-1-3-8-17/h1-15,20H,16,27H2,(H2,28,29,31,37)