ethyl 5-methyl-2-propylsulfanyl-7-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-propylsulfanyl-7-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-propylsulfanyl-7-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(propylthio)-7-(3-pyridinyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-propylsulfanyl-7-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(propylthio)-7-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=NC(=C(C(N2N1)C3=CN=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCCSC1=NC2=NC(=C(C(N2N1)C3=CN=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C17H21N5O2S/c1-4-9-25-17-20-16-19-11(3)13(15(23)24-5-2)14(22(16)21-17)12-7-6-8-18-10-12/h6-8,10,14H,4-5,9H2,1-3H3,(H,19,20,21)