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

Systemtic Name: 2,2-dimethyl-5-(5-pyridin-2-ylsulfanylfuran-2-yl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 2,2-dimethyl-5-[5-(2-pyridylsulfanyl)-2-furyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 2,2-dimethyl-5-[5-(2-pyridinylthio)-2-furanyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 2,2-dimethyl-5-(5-pyridin-2-ylsulfanylfuran-2-yl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 2,2-dimethyl-5-[5-(2-pyridylthio)-2-furyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C28H24N2O2S MolecularWeight: 452.56736

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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=N6)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(O5)SC6=CC=CC=N6)C(=O)C1)C

InChI

InChI=1S/C28H24N2O2S/c1-28(2)15-19-25-18-8-4-3-7-17(18)10-11-20(25)30-27(26(19)21(31)16-28)22-12-13-24(32-22)33-23-9-5-6-14-29-23/h3-14,27,30H,15-16H2,1-2H3