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ethyl 7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name:ethyl 7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
Openeye Name:ethyl 7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CAS Name:7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
IUPAC Name:ethyl 7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
Traditional Name:7-keto-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
Formula: C21H17N3O3S
MolecularWeight: 391.44298
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4


Isomeric SMILES

CCOC(=O)C1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4


InChI

InChI=1S/C21H17N3O3S/c1-2-27-21(26)18-12-22-19-17(13-23-24(19)20(18)25)14-8-10-16(11-9-14)28-15-6-4-3-5-7-15/h3-13,23H,2H2,1H3


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