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

Systemtic Name: methyl 3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl 3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 3-[4-(phenylthio)phenyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 3-[4-(phenylthio)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN2C(=C(C=N2)C3=CC=C(C=C3)SC4=CC=CC=C4)N=C1

Isomeric SMILES

COC(=O)C1=CN2C(=C(C=N2)C3=CC=C(C=C3)SC4=CC=CC=C4)N=C1

InChI

InChI=1S/C20H15N3O2S/c1-25-20(24)15-11-21-19-18(12-22-23(19)13-15)14-7-9-17(10-8-14)26-16-5-3-2-4-6-16/h2-13H,1H3