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

Systemtic Name: 2-(phenylmethylsulfanyl)-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-benzylsulfanyl-5-isopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-(phenylmethylthio)-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-benzylsulfanyl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-(benzylthio)-5-isopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4OS/c1-10(2)12-8-13(20)19-14(16-12)17-15(18-19)21-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,17,18)