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

Systemtic Name: ethyl 5-propyl-2-propylsulfanyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-propyl-2-propylsulfanyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-propyl-2-(propylthio)-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-propyl-2-propylsulfanyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-propyl-2-(propylthio)-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(N2C(=N1)N=C(N2)SCCC)C3=CC=CS3)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(N2C(=N1)N=C(N2)SCCC)C3=CC=CS3)C(=O)OCC

InChI

InChI=1S/C18H24N4O2S2/c1-4-8-12-14(16(23)24-6-3)15(13-9-7-11-25-13)22-17(19-12)20-18(21-22)26-10-5-2/h7,9,11,15H,4-6,8,10H2,1-3H3,(H,19,20,21)