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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=NC(=C(C(N2N1)C3=CC=CS3)C(=O)OCC)C

Isomeric SMILES

CCCCSC1=NC2=NC(=C(C(N2N1)C3=CC=CS3)C(=O)OCC)C

InChI

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