5-(2-ethoxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(2-ethoxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(2-ethoxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(2-ethoxyethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(2-ethoxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(2-ethoxyethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOCCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-2-27-13-12-17-14-21(26)25-22(24-17)20(15-23-25)16-8-10-19(11-9-16)28-18-6-4-3-5-7-18/h3-11,14-15,23H,2,12-13H2,1H3