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

Systemtic Name: propan-2-yl 5-methyl-2-propylsulfanyl-7-pyridin-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-2-propylsulfanyl-7-(2-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(propylthio)-7-(2-pyridinyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-2-propylsulfanyl-7-pyridin-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(propylthio)-7-(2-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid isopropyl ester Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=NC(=C(C(N2N1)C3=CC=CC=N3)C(=O)OC(C)C)C

Isomeric SMILES

CCCSC1=NC2=NC(=C(C(N2N1)C3=CC=CC=N3)C(=O)OC(C)C)C

InChI

InChI=1S/C18H23N5O2S/c1-5-10-26-18-21-17-20-12(4)14(16(24)25-11(2)3)15(23(17)22-18)13-8-6-7-9-19-13/h6-9,11,15H,5,10H2,1-4H3,(H,20,21,22)