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

Systemtic Name: 1-(1H-benzimidazol-2-ylmethylsulfanyl)-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-(1H-benzimidazol-2-ylmethylsulfanyl)-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(1H-benzimidazol-2-ylmethylthio)-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(1H-benzimidazol-2-ylmethylsulfanyl)-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-amyl-1-(1H-benzimidazol-2-ylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H22N6OS/c1-2-3-8-13-27-20(29)15-9-4-7-12-18(15)28-21(27)25-26-22(28)30-14-19-23-16-10-5-6-11-17(16)24-19/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,23,24)