2,2-dimethyl-5-(4-methylsulfanylphenyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one

Systemtic Name: 2,2-dimethyl-5-(4-methylsulfanylphenyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 2,2-dimethyl-5-(4-methylsulfanylphenyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 2,2-dimethyl-5-[4-(methylthio)phenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 2,2-dimethyl-5-(4-methylsulfanylphenyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 2,2-dimethyl-5-[4-(methylthio)phenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C26H25NOS MolecularWeight: 399.5478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)SC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)SC)C(=O)C1)C

InChI

InChI=1S/C26H25NOS/c1-26(2)14-20-23-19-7-5-4-6-16(19)10-13-21(23)27-25(24(20)22(28)15-26)17-8-11-18(29-3)12-9-17/h4-13,25,27H,14-15H2,1-3H3