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

Systemtic Name: 2,2-dimethyl-5-(5-phenylsulfanylfuran-2-yl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 2,2-dimethyl-5-(5-phenylsulfanyl-2-furyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 2,2-dimethyl-5-[5-(phenylthio)-2-furanyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 2,2-dimethyl-5-(5-phenylsulfanylfuran-2-yl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 2,2-dimethyl-5-[5-(phenylthio)-2-furyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C29H25NO2S MolecularWeight: 451.5793

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(O5)SC6=CC=CC=C6)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(O5)SC6=CC=CC=C6)C(=O)C1)C

InChI

InChI=1S/C29H25NO2S/c1-29(2)16-21-26-20-11-7-6-8-18(20)12-13-22(26)30-28(27(21)23(31)17-29)24-14-15-25(32-24)33-19-9-4-3-5-10-19/h3-15,28,30H,16-17H2,1-2H3