2-methoxyethyl (7S)-7-(4-fluorophenyl)-5-methyl-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl (7S)-7-(4-fluorophenyl)-5-methyl-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl (7S)-2-benzylsulfanyl-7-(4-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: (7S)-7-(4-fluorophenyl)-5-methyl-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (7S)-2-benzylsulfanyl-7-(4-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: (7S)-2-(benzylthio)-7-(4-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C23H23FN4O3S MolecularWeight: 454.517123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F)C(=O)OCCOC

InChI

InChI=1S/C23H23FN4O3S/c1-15-19(21(29)31-13-12-30-2)20(17-8-10-18(24)11-9-17)28-22(25-15)26-23(27-28)32-14-16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3,(H,25,26,27)/t20-/m0/s1