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

Systemtic Name: 1-(oxan-2-ylmethylsulfanyl)-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-propyl-1-(tetrahydropyran-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(2-oxanylmethylthio)-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(oxan-2-ylmethylsulfanyl)-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-propyl-1-(tetrahydropyran-2-ylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C18H22N4O2S MolecularWeight: 358.45788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4CCCCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4CCCCO4

InChI

InChI=1S/C18H22N4O2S/c1-2-10-21-16(23)14-8-3-4-9-15(14)22-17(21)19-20-18(22)25-12-13-7-5-6-11-24-13/h3-4,8-9,13H,2,5-7,10-12H2,1H3