butyl 2-ethylsulfanyl-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: butyl 2-ethylsulfanyl-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: butyl 2-ethylsulfanyl-5-methyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(ethylthio)-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid butyl ester IUPAC Name: butyl 2-ethylsulfanyl-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(ethylthio)-5-methyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid butyl ester Formula: C17H22N4O2S2 MolecularWeight: 378.51218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CS3)SCC)C

Isomeric SMILES

CCCCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CS3)SCC)C

InChI

InChI=1S/C17H22N4O2S2/c1-4-6-9-23-15(22)13-11(3)18-16-19-17(24-5-2)20-21(16)14(13)12-8-7-10-25-12/h7-8,10,14H,4-6,9H2,1-3H3,(H,18,19,20)