prop-2-enyl 5-methyl-2-propylsulfanyl-7-thiophen-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-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: allyl 5-methyl-2-propylsulfanyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(propylthio)-7-thiophen-2-yl-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-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(propylthio)-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid allyl ester Formula: C17H20N4O2S2 MolecularWeight: 376.4963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=NC(=C(C(N2N1)C3=CC=CS3)C(=O)OCC=C)C

Isomeric SMILES

CCCSC1=NC2=NC(=C(C(N2N1)C3=CC=CS3)C(=O)OCC=C)C

InChI

InChI=1S/C17H20N4O2S2/c1-4-8-23-15(22)13-11(3)18-16-19-17(25-9-5-2)20-21(16)14(13)12-7-6-10-24-12/h4,6-7,10,14H,1,5,8-9H2,2-3H3,(H,18,19,20)