2-[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoic acid

Systemtic Name: 2-[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoic acid Openeye Name: 2-[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid CAS Name: 2-[7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid IUPAC Name: 2-[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid Traditional Name: 2-[7-keto-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)CC(=O)O

InChI

InChI=1S/C20H15N3O3S/c24-18(25)10-14-11-21-19-17(12-22-23(19)20(14)26)13-6-8-16(9-7-13)27-15-4-2-1-3-5-15/h1-9,11-12,22H,10H2,(H,24,25)