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

Systemtic Name: ethyl 3-(3-methoxy-4-phenylsulfanyl-phenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(3-methoxy-4-phenylsulfanyl-phenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 3-[3-methoxy-4-(phenylthio)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-methoxy-4-phenylsulfanylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-3-[3-methoxy-4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4S/c1-3-29-22(27)17-12-23-20-16(13-24-25(20)21(17)26)14-9-10-19(18(11-14)28-2)30-15-7-5-4-6-8-15/h4-13,24H,3H2,1-2H3