5-(4-methylsulfanylphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one

Systemtic Name: 5-(4-methylsulfanylphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Openeye Name: 5-(4-methylsulfanylphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one CAS Name: 5-[4-(methylthio)phenyl]-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one IUPAC Name: 5-(4-methylsulfanylphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Traditional Name: 5-[4-(methylthio)phenyl]-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Formula: C24H21NOS MolecularWeight: 371.49464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54

Isomeric SMILES

CSC1=CC=C(C=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54

InChI

InChI=1S/C24H21NOS/c1-27-17-12-9-16(10-13-17)24-23-19(7-4-8-21(23)26)22-18-6-3-2-5-15(18)11-14-20(22)25-24/h2-3,5-6,9-14,24-25H,4,7-8H2,1H3