[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methyl ethanoate

Systemtic Name: [7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methyl ethanoate Openeye Name: [7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methyl acetate CAS Name: acetic acid [7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methyl ester IUPAC Name: [7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methyl acetate Traditional Name: acetic acid [7-keto-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-14(25)27-13-16-11-20(26)24-21(23-16)19(12-22-24)15-7-9-18(10-8-15)28-17-5-3-2-4-6-17/h2-12,22H,13H2,1H3