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

Systemtic Name: 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one Openeye Name: 2-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one CAS Name: 2-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-3-propyl-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one Traditional Name: 2-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-3-propyl-1,2-dihydroquinazolin-4-one Formula: C24H25N3O2S MolecularWeight: 419.5392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)CSC4=CC=CC=N4

Isomeric SMILES

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)CSC4=CC=CC=N4

InChI

InChI=1S/C24H25N3O2S/c1-3-14-27-23(26-20-9-5-4-8-19(20)24(27)28)17-11-12-21(29-2)18(15-17)16-30-22-10-6-7-13-25-22/h4-13,15,23,26H,3,14,16H2,1-2H3