4-cyclohexyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-cyclohexyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-cyclohexyl-1-(2-pyridylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-cyclohexyl-1-(2-pyridinylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-cyclohexyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-cyclohexyl-1-(2-pyridylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H21N5OS MolecularWeight: 391.48934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC=CC=N5

InChI

InChI=1S/C21H21N5OS/c27-19-17-11-4-5-12-18(17)26-20(25(19)16-9-2-1-3-10-16)23-24-21(26)28-14-15-8-6-7-13-22-15/h4-8,11-13,16H,1-3,9-10,14H2