1-[2-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea

Systemtic Name: 1-[2-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Openeye Name: 1-[2-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea CAS Name: 1-[2-[[4-(4-nitrophenyl)-2-pyrimidinyl]amino]phenyl]-3-(6-phenyl-3-pyridazinyl)thiourea IUPAC Name: 1-[2-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Traditional Name: 1-[2-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Formula: C27H20N8O2S MolecularWeight: 520.5651

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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=C3NC4=NC=CC(=N4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3NC4=NC=CC(=N4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N8O2S/c36-35(37)20-12-10-19(11-13-20)21-16-17-28-26(29-21)30-23-8-4-5-9-24(23)31-27(38)32-25-15-14-22(33-34-25)18-6-2-1-3-7-18/h1-17H,(H,28,29,30)(H2,31,32,34,38)