9,9-dimethyl-12-(4-methylsulfanylphenyl)-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one

Systemtic Name: 9,9-dimethyl-12-(4-methylsulfanylphenyl)-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one Openeye Name: 9,9-dimethyl-12-(4-methylsulfanylphenyl)-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one CAS Name: 9,9-dimethyl-12-[4-(methylthio)phenyl]-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one IUPAC Name: 9,9-dimethyl-12-(4-methylsulfanylphenyl)-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one Traditional Name: 9,9-dimethyl-12-[4-(methylthio)phenyl]-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)C=CC4=C3C=CC=N4)C5=CC=C(C=C5)SC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2)C=CC4=C3C=CC=N4)C5=CC=C(C=C5)SC)C(=O)C1)C

InChI

InChI=1S/C25H24N2OS/c1-25(2)13-20-24(21(28)14-25)22(15-6-8-16(29-3)9-7-15)23-17-5-4-12-26-18(17)10-11-19(23)27-20/h4-12,22,27H,13-14H2,1-3H3