3-butyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-butyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-butyl-2-(3-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-butyl-2-(3-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-butyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-butyl-2-(3-pyridylmethylthio)quinazolin-4-one Formula: C18H19N3OS MolecularWeight: 325.42796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CN=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CN=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-2-3-11-21-17(22)15-8-4-5-9-16(15)20-18(21)23-13-14-7-6-10-19-12-14/h4-10,12H,2-3,11,13H2,1H3