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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-2-28-20(26)12-16-13-23-21-19(14-24-25(21)22(16)27)15-8-10-18(11-9-15)29-17-6-4-3-5-7-17/h3-11,13-14,24H,2,12H2,1H3