5-(2-methoxyethyl)-2-methylsulfanyl-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(2-methoxyethyl)-2-methylsulfanyl-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(benzenesulfonyl)-5-(2-methoxyethyl)-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(benzenesulfonyl)-5-(2-methoxyethyl)-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(benzenesulfonyl)-5-(2-methoxyethyl)-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-besyl-5-(2-methoxyethyl)-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=CC(=O)N2C(=N1)C(=C(N2)SC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COCCC1=CC(=O)N2C(=N1)C(=C(N2)SC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3O4S2/c1-23-9-8-11-10-13(20)19-15(17-11)14(16(18-19)24-2)25(21,22)12-6-4-3-5-7-12/h3-7,10,18H,8-9H2,1-2H3