sodium 5-(methoxymethyl)-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: sodium 5-(methoxymethyl)-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: sodium 5-(methoxymethyl)-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: sodium 5-(methoxymethyl)-3-[4-(phenylthio)phenyl]-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: sodium 5-(methoxymethyl)-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: sodium 5-(methoxymethyl)-3-[4-(phenylthio)phenyl]pyrazolo[1,5-a]pyrimidin-7-olate Formula: C20H16N3NaO2S MolecularWeight: 385.41471

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NC2=C(C=NN2C(=C1)[O-])C3=CC=C(C=C3)SC4=CC=CC=C4.[Na+]

Isomeric SMILES

COCC1=NC2=C(C=NN2C(=C1)[O-])C3=CC=C(C=C3)SC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C20H17N3O2S.Na/c1-25-13-15-11-19(24)23-20(22-15)18(12-21-23)14-7-9-17(10-8-14)26-16-5-3-2-4-6-16;/h2-12,24H,13H2,1H3;/q;+1/p-1