2-[(4-methylphenyl)methylsulfanyl]-8-(5-phenylmethoxypentyl)-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-8-(5-phenylmethoxypentyl)-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one Openeye Name: 8-(5-benzyloxypentyl)-2-(p-tolylmethylsulfanyl)-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one CAS Name: 2-[(4-methylphenyl)methylthio]-8-(5-phenylmethoxypentyl)-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-8-(5-phenylmethoxypentyl)-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one Traditional Name: 8-(5-benzoxypentyl)-2-[(4-methylbenzyl)thio]-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2NC3=C(N=CN3C(=O)N2)CCCCCOCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2NC3=C(N=CN3C(=O)N2)CCCCCOCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-19-11-13-21(14-12-19)17-32-24-27-23-22(26-18-29(23)25(30)28-24)10-6-3-7-15-31-16-20-8-4-2-5-9-20/h2,4-5,8-9,11-14,18,24,27H,3,6-7,10,15-17H2,1H3,(H,28,30)