[2,8-bis(methylsulfanyl)-9-(phenylcarbonyl)-1,7-phenanthrolin-3-yl]-phenyl-methanone

Systemtic Name: [2,8-bis(methylsulfanyl)-9-(phenylcarbonyl)-1,7-phenanthrolin-3-yl]-phenyl-methanone Openeye Name: [9-benzoyl-2,8-bis(methylsulfanyl)-1,7-phenanthrolin-3-yl]-phenyl-methanone CAS Name: [9-benzoyl-2,8-bis(methylthio)-1,7-phenanthrolin-3-yl]-phenylmethanone IUPAC Name: [9-benzoyl-2,8-bis(methylsulfanyl)-1,7-phenanthrolin-3-yl]-phenylmethanone Traditional Name: [9-benzoyl-2,8-bis(methylthio)-1,7-phenanthrolin-3-yl]-phenyl-methanone Formula: C28H20N2O2S2 MolecularWeight: 480.6006

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C=CC3=NC(=C(C=C3C2=N1)C(=O)C4=CC=CC=C4)SC)C(=O)C5=CC=CC=C5

Isomeric SMILES

CSC1=C(C=C2C=CC3=NC(=C(C=C3C2=N1)C(=O)C4=CC=CC=C4)SC)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H20N2O2S2/c1-33-27-22(26(32)18-11-7-4-8-12-18)16-20-23(29-27)14-13-19-15-21(28(34-2)30-24(19)20)25(31)17-9-5-3-6-10-17/h3-16H,1-2H3