5-tert-butyl-2-(phenylmethylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-tert-butyl-2-(phenylmethylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-benzylsulfanyl-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-tert-butyl-2-(phenylmethylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-benzylsulfanyl-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-(benzylthio)-5-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H18N4OS/c1-16(2,3)12-9-13(21)20-14(17-12)18-15(19-20)22-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,17,18,19)