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

Systemtic Name: methyl 5-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl 5-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-keto-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN2C(=NC1=O)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN2C(=NC1=O)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C20H15N3O3S/c1-26-20(25)17-12-23-18(22-19(17)24)16(11-21-23)13-7-9-15(10-8-13)27-14-5-3-2-4-6-14/h2-12,21H,1H3