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

Systemtic Name: ethyl 3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 3-[4-(phenylthio)phenyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 3-[4-(phenylthio)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S/c1-2-26-21(25)16-12-22-20-19(13-23-24(20)14-16)15-8-10-18(11-9-15)27-17-6-4-3-5-7-17/h3-14H,2H2,1H3