4-[[6-ethyl-2-(4-methylsulfanylphenyl)-6H-phenanthridin-5-yl]sulfonyl]phenol

Systemtic Name: 4-[[6-ethyl-2-(4-methylsulfanylphenyl)-6H-phenanthridin-5-yl]sulfonyl]phenol Openeye Name: 4-[[6-ethyl-2-(4-methylsulfanylphenyl)-6H-phenanthridin-5-yl]sulfonyl]phenol CAS Name: 4-[[6-ethyl-2-[4-(methylthio)phenyl]-6H-phenanthridin-5-yl]sulfonyl]phenol IUPAC Name: 4-[[6-ethyl-2-(4-methylsulfanylphenyl)-6H-phenanthridin-5-yl]sulfonyl]phenol Traditional Name: 4-[[6-ethyl-2-[4-(methylthio)phenyl]-6H-phenanthridin-5-yl]sulfonyl]phenol Formula: C28H25NO3S2 MolecularWeight: 487.633

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2C3=C(N1S(=O)(=O)C4=CC=C(C=C4)O)C=CC(=C3)C5=CC=C(C=C5)SC

Isomeric SMILES

CCC1C2=CC=CC=C2C3=C(N1S(=O)(=O)C4=CC=C(C=C4)O)C=CC(=C3)C5=CC=C(C=C5)SC

InChI

InChI=1S/C28H25NO3S2/c1-3-27-25-7-5-4-6-24(25)26-18-20(19-8-13-22(33-2)14-9-19)10-17-28(26)29(27)34(31,32)23-15-11-21(30)12-16-23/h4-18,27,30H,3H2,1-2H3