ethyl 5-methyl-7-[2-(phenylmethylsulfanyl)phenyl]-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-7-[2-(phenylmethylsulfanyl)phenyl]-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-(2-benzylsulfanylphenyl)-5-methyl-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-[2-(phenylmethylthio)phenyl]-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-benzylsulfanylphenyl)-5-methyl-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-[2-(benzylthio)phenyl]-5-methyl-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=CNN2C1C3=CC=CC=C3SCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=CNN2C1C3=CC=CC=C3SCC4=CC=CC=C4)C

InChI

InChI=1S/C23H23N3O2S/c1-3-28-23(27)21-16(2)25-20-13-14-24-26(20)22(21)18-11-7-8-12-19(18)29-15-17-9-5-4-6-10-17/h4-14,22,24H,3,15H2,1-2H3