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

Systemtic Name: methyl 5-methyl-2-propylsulfanyl-7-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c1-4-8-24-16-19-15-18-10(2)12(14(22)23-3)13(21(15)20-16)11-6-5-7-17-9-11/h5-7,9,13H,4,8H2,1-3H3,(H,18,19,20)