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

Systemtic Name: 2-[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethyl ethanoate Openeye Name: 2-[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethyl acetate CAS Name: acetic acid 2-[7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethyl ester IUPAC Name: 2-[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethyl acetate Traditional Name: acetic acid 2-[7-keto-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(=O)OCCC1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-15(26)28-12-11-17-13-23-21-20(14-24-25(21)22(17)27)16-7-9-19(10-8-16)29-18-5-3-2-4-6-18/h2-10,13-14,24H,11-12H2,1H3