3-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(3-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-(3-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(3-pyridylmethylthio)quinazolin-4-one Formula: C22H23N3OS MolecularWeight: 377.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4

InChI

InChI=1S/C22H23N3OS/c26-21-19-10-4-5-11-20(19)24-22(27-16-18-9-6-13-23-15-18)25(21)14-12-17-7-2-1-3-8-17/h4-7,9-11,13,15H,1-3,8,12,14,16H2