5-nitro-N-(4-phenyldiazenylphenyl)-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(4-phenyldiazenylphenyl)-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(4-phenylazophenyl)-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: 5-nitro-N-(4-phenyldiazenylphenyl)-6-(phenylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(4-phenyldiazenylphenyl)-6-phenylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(phenylthio)pyrimidin-4-yl]-(4-phenylazophenyl)amine Formula: C22H16N6O2S MolecularWeight: 428.46644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O2S/c29-28(30)20-21(23-15-24-22(20)31-19-9-5-2-6-10-19)25-16-11-13-18(14-12-16)27-26-17-7-3-1-4-8-17/h1-15H,(H,23,24,25)