7-phenylsulfanyl-5-pyridin-2-yl-3,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 7-phenylsulfanyl-5-pyridin-2-yl-3,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 7-phenylsulfanyl-5-(2-pyridyl)-3,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-(phenylthio)-5-(2-pyridinyl)-3,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 7-phenylsulfanyl-5-pyridin-2-yl-3,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 7-(phenylthio)-5-(2-pyridyl)-3,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C2C(C=NN2C1SC3=CC=CC=C3)C(=O)O)C4=CC=CC=N4

Isomeric SMILES

C1C(N=C2C(C=NN2C1SC3=CC=CC=C3)C(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C18H16N4O2S/c23-18(24)13-11-20-22-16(25-12-6-2-1-3-7-12)10-15(21-17(13)22)14-8-4-5-9-19-14/h1-9,11,13,15-16H,10H2,(H,23,24)