ethyl 5-methyl-2-methylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-methylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-methylsulfanyl-7-(4-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(methylthio)-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-methylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(methylthio)-7-(4-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=NC=C3)SC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=NC=C3)SC)C

InChI

InChI=1S/C15H17N5O2S/c1-4-22-13(21)11-9(2)17-14-18-15(23-3)19-20(14)12(11)10-5-7-16-8-6-10/h5-8,12H,4H2,1-3H3,(H,17,18,19)