2-methylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid Openeye Name: 2-methylsulfanyl-7-(4-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid IUPAC Name: 2-methylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-7-(4-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid Formula: C12H11N5O2S MolecularWeight: 289.31304

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=NC(=CC(N2N1)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CSC1=NC2=NC(=CC(N2N1)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C12H11N5O2S/c1-20-12-15-11-14-8(10(18)19)6-9(17(11)16-12)7-2-4-13-5-3-7/h2-6,9H,1H3,(H,18,19)(H,14,15,16)