[4-[[5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)pyridin-2-yl]amino]phenyl]-phenyl-methanone

Systemtic Name: [4-[[5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)pyridin-2-yl]amino]phenyl]-phenyl-methanone Openeye Name: [4-[[5-nitro-6-[4-(2-pyridylsulfanyl)-1-piperidyl]-2-pyridyl]amino]phenyl]-phenyl-methanone CAS Name: [4-[[5-nitro-6-[4-(2-pyridinylthio)-1-piperidinyl]-2-pyridinyl]amino]phenyl]-phenylmethanone IUPAC Name: [4-[[5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)pyridin-2-yl]amino]phenyl]-phenylmethanone Traditional Name: [4-[[5-nitro-6-[4-(2-pyridylthio)piperidino]-2-pyridyl]amino]phenyl]-phenyl-methanone Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=CC=N2)C3=C(C=CC(=N3)NC4=CC=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1SC2=CC=CC=N2)C3=C(C=CC(=N3)NC4=CC=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H25N5O3S/c34-27(20-6-2-1-3-7-20)21-9-11-22(12-10-21)30-25-14-13-24(33(35)36)28(31-25)32-18-15-23(16-19-32)37-26-8-4-5-17-29-26/h1-14,17,23H,15-16,18-19H2,(H,30,31)