ethyl 2-methyl-7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C(NN2C1=O)C)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C(NN2C1=O)C)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-3-28-22(27)18-13-23-20-19(14(2)24-25(20)21(18)26)15-9-11-17(12-10-15)29-16-7-5-4-6-8-16/h4-13,24H,3H2,1-2H3