4-pentyl-1-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-pentyl-1-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-benzylsulfanyl-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-pentyl-1-(phenylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-benzylsulfanyl-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-amyl-1-(benzylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-2-3-9-14-24-19(26)17-12-7-8-13-18(17)25-20(24)22-23-21(25)27-15-16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14-15H2,1H3