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

Systemtic Name: prop-2-enyl 5-methyl-2-propylsulfanyl-7-pyridin-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-4-10-25-16(24)14-12(3)20-17-21-18(26-11-5-2)22-23(17)15(14)13-8-6-7-9-19-13/h4,6-9,15H,1,5,10-11H2,2-3H3,(H,20,21,22)