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

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-(pyridin-4-ylmethylthio)-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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