2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 2-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-3-(p-tolyl)-1,2-dihydroquinazolin-4-one CAS Name: 2-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-3-(p-tolyl)-1,2-dihydroquinazolin-4-one Formula: C28H25N3O2S MolecularWeight: 467.582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CSC5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CSC5=CC=CC=N5

InChI

InChI=1S/C28H25N3O2S/c1-19-10-13-22(14-11-19)31-27(30-24-8-4-3-7-23(24)28(31)32)20-12-15-25(33-2)21(17-20)18-34-26-9-5-6-16-29-26/h3-17,27,30H,18H2,1-2H3