1-butylsulfanyl-4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-butylsulfanyl-4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-benzyl-1-butylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(butylthio)-4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-benzyl-1-butylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-benzyl-1-(butylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C20H20N4OS MolecularWeight: 364.464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C2N1C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NN=C2N1C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4OS/c1-2-3-13-26-20-22-21-19-23(14-15-9-5-4-6-10-15)18(25)16-11-7-8-12-17(16)24(19)20/h4-12H,2-3,13-14H2,1H3