3-methyl-12-(4-methylsulfanylphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one

Systemtic Name: 3-methyl-12-(4-methylsulfanylphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one Openeye Name: 3-methyl-12-(4-methylsulfanylphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one CAS Name: 3-methyl-12-[4-(methylthio)phenyl]-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one IUPAC Name: 3-methyl-12-(4-methylsulfanylphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one Traditional Name: 3-methyl-12-[4-(methylthio)phenyl]-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one Formula: C24H22N2OS MolecularWeight: 386.50928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C3=C(C=C2)NC4=C(C3C5=CC=C(C=C5)SC)C(=O)CCC4

Isomeric SMILES

CC1=NC2=C(C=C1)C3=C(C=C2)NC4=C(C3C5=CC=C(C=C5)SC)C(=O)CCC4

InChI

InChI=1S/C24H22N2OS/c1-14-6-11-17-18(25-14)12-13-20-23(17)22(15-7-9-16(28-2)10-8-15)24-19(26-20)4-3-5-21(24)27/h6-13,22,26H,3-5H2,1-2H3